data_2kko_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 2kko _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.91 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.167 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.8 -30.37 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.59 -25.22 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.0 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' O ' HG21 ' A' ' 15' ' ' VAL . 7.9 tt -73.17 -43.79 60.91 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' B' ' 28' ' ' LEU . 86.0 mt -65.05 -32.98 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.255 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -57.64 -43.98 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.451 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.74 -39.36 80.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 11' ' ' LEU . 95.1 t -63.26 -44.78 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.38 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.34 -32.18 73.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.97 -50.46 68.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.478 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -67.36 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.528 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.32 94.74 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.04 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 93.3 mttt -61.54 -35.9 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.387 . . . . 0.0 111.031 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB3' HD23 ' A' ' 62' ' ' LEU . . . -69.89 -42.86 72.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.742 HD23 HG11 ' B' ' 15' ' ' VAL . 10.4 tt -73.96 -36.08 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.291 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 93.46 0.91 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.06 0.457 . . . . 0.0 111.135 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -170.48 -41.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.027 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.94 -58.73 2.45 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.537 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -68.96 -35.41 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.848 0.356 . . . . 0.0 110.758 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' CD ' ' HB2' ' A' ' 58' ' ' ASN . 24.8 mtm180 -72.19 -12.11 61.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.353 . . . . 0.0 110.903 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.672 HD21 ' HG ' ' A' ' 22' ' ' LEU . 93.9 mt -76.63 -22.16 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.028 0.442 . . . . 0.0 109.813 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.38 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.18 -49.35 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.188 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.567 HD11 HD21 ' A' ' 67' ' ' LEU . 94.9 mt -60.57 -43.51 97.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.24 -38.38 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.72 -35.14 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 HD23 HD13 ' A' ' 44' ' ' ILE . 65.5 mt -76.17 -25.94 55.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.288 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -16.45 64.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.278 0.561 . . . . 0.0 110.325 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HB2' HH21 ' A' ' 39' ' ' ARG . 64.9 mt-30 -96.58 4.18 52.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.014 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.3 143.86 4.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.188 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 7.3 pt-20 -72.38 137.01 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.695 0.283 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH21 ' HB2' ' A' ' 36' ' ' GLN . 58.9 mtt-85 -140.23 157.43 45.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 111.112 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -77.46 159.42 29.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.91 -47.09 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -56.93 -41.05 77.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.816 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -47.59 58.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.354 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 HD23 ' A' ' 34' ' ' LEU . 75.5 mt -60.36 -49.51 83.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.943 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.65 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.306 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.8 m -62.92 -39.32 94.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.393 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.07 83.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.431 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -90.63 -6.64 54.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.986 0.422 . . . . 0.0 111.327 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.48 31.66 45.07 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.654 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.4 mtm -117.02 155.07 29.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -74.17 139.08 44.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.236 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.52 -41.1 72.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.181 0.301 . . . . 0.0 111.655 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 m -60.02 -47.81 84.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 m -68.72 -36.0 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.57 75.45 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 18.9 t -56.88 -38.5 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.166 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.85 -51.02 71.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.85 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.457 ' HB2' ' CD ' ' A' ' 27' ' ' ARG . 32.8 p30 -81.39 -21.06 39.25 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.701 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.59 -39.65 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 56' ' ' SER . 28.1 mt-30 -65.26 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.391 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' A' ' 21' ' ' ALA . 89.0 mt -71.54 -32.99 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -68.25 -46.39 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.488 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 p -65.92 -29.76 70.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.73 -32.17 77.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.752 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.28 15.39 17.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.567 HD21 HD11 ' A' ' 31' ' ' LEU . 8.4 mp -86.7 -49.07 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.709 0.29 . . . . 0.0 111.473 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.76 156.42 33.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.155 0.503 . . . . 0.0 111.506 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -130.29 170.44 14.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.407 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.76 142.77 51.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.892 0.377 . . . . 0.0 111.252 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -124.74 140.07 53.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.395 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.88 109.77 21.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.093 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 34.2 tt0 -109.05 102.68 11.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.16 -106.99 2.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.787 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -122.93 6.94 9.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.176 0.512 . . . . 0.0 110.914 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -104.18 143.3 33.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -101.74 106.33 17.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.785 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 75.0 m-85 -93.39 131.08 38.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.949 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -101.2 139.87 36.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.254 0.549 . . . . 0.0 110.618 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 28.2 ttt-85 -141.71 152.8 44.18 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.8 134.75 23.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.92 51.57 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.382 0.426 . . . . 0.0 111.706 -173.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.77 170.75 36.01 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.85 -18.92 65.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.209 0.504 . . . . 0.0 110.463 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.87 -55.4 27.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.999 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 67' ' ' LEU . 45.1 t -72.43 -36.21 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.593 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.246 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -69.15 -29.42 67.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.394 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.51 -44.6 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -66.19 -38.38 87.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.523 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.26 96.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.119 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.711 HD22 HD13 ' B' ' 89' ' ' LEU . 7.1 tt -61.6 -52.08 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.711 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.452 ' HA ' HG11 ' A' ' 96' ' ' VAL . 34.6 m -63.1 -31.51 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.66 -49.94 60.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.339 . . . . 0.0 110.222 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.31 -46.31 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.819 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 93' ' ' VAL . 10.0 p -64.34 -33.6 63.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.41 -42.21 54.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.795 0.331 . . . . 0.0 110.259 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.04 -53.02 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.754 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.411 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 pttt . . . . . 0 N--CA 1.46 0.061 0 CA-C-O 120.64 0.257 . . . . 0.0 111.445 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.28 91.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.276 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.51 -32.16 72.18 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 110.919 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.401 ' O ' HG21 ' B' ' 15' ' ' VAL . 3.3 tm? -66.92 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.19 -30.53 67.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.065 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.7 -43.66 98.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.296 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -62.8 -40.22 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.701 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.742 HG11 HD23 ' A' ' 22' ' ' LEU . 81.4 t -66.35 -41.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.693 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -62.92 -32.12 73.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.023 0.44 . . . . 0.0 110.846 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -63.99 -49.65 71.64 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.682 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.471 HG13 ' O ' ' B' ' 65' ' ' GLY . 16.9 m -68.7 -27.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.886 0.374 . . . . 0.0 110.066 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -40.47 96.05 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.891 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 97.0 mttt -62.36 -40.64 97.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.91 0.386 . . . . 0.0 110.463 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -34.12 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.526 ' HA ' HD21 ' B' ' 28' ' ' LEU . 96.9 mt -85.01 -6.84 59.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.91 13.39 18.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.971 0.415 . . . . 0.0 111.204 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.497 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 29.7 m-80 -118.01 102.08 8.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.89 -40.41 93.1 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.698 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.11 -28.13 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.918 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.536 ' HB3' HD21 ' B' ' 62' ' ' LEU . 3.0 mtm180 -92.42 -20.75 20.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' B' ' 22' ' ' LEU . 76.9 mt -68.14 -35.17 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.346 176.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.96 -35.48 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 109.977 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.15 -38.24 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.407 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.76 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.64 -28.87 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.282 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -78.75 -43.36 25.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.879 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.67 -15.26 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.476 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.4 44.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.47 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -97.88 -8.18 28.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.51 165.45 12.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.056 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.724 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 0.0 OUTLIER -82.32 132.89 35.22 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.228 0.537 . . . . 0.0 110.211 178.307 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -141.07 150.21 42.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.136 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -73.02 155.96 39.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.029 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.31 -42.31 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.793 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -59.61 -44.68 93.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.664 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.42 88.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.89 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 67.3 mt -63.71 -47.74 89.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.72 68.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.163 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -61.06 -45.22 95.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.361 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.16 81.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.671 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -86.85 -18.5 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.807 0.336 . . . . 0.0 111.368 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.12 19.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.951 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 76.9 mtm -123.88 156.55 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 110.683 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -66.19 145.77 55.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.96 -42.65 94.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -64.21 -44.42 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.9 m -66.8 -40.75 88.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.82 96.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.568 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 55.9 m -57.74 -41.13 81.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.531 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.522 ' HA ' HH11 ' B' ' 27' ' ' ARG . 84.9 m-20 -59.28 -46.53 88.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.897 177.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.535 HD13 ' CD1' ' B' ' 79' ' ' TYR . 83.1 mt -64.96 -42.85 94.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.165 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.41 -41.15 93.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.767 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.05 91.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' B' ' 27' ' ' ARG . 94.5 mt -63.87 -39.98 95.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.544 . . . . 0.0 110.452 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.59 -35.27 78.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.13 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 38.9 m -69.48 -27.67 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.688 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.471 ' O ' HG13 ' B' ' 18' ' ' VAL . . . -80.64 -18.6 70.25 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.06 176.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.12 19.8 32.39 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.18 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' B' ' 86' ' ' VAL . 4.5 mm? -83.32 -46.5 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.676 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.18 159.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.68 159.84 25.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.404 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.3 109.22 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.909 0.385 . . . . 0.0 110.615 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -108.58 104.37 13.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -100.08 128.8 46.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.69 -172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.59 127.38 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.789 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.97 -115.45 6.53 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.191 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 p -115.8 11.66 15.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.992 0.425 . . . . 0.0 111.106 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . 0.481 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 52.1 mtt180 -114.15 143.56 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.886 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 28.9 tt0 -108.63 104.06 13.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.481 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 58.3 m-85 -91.4 133.41 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.535 ' CD1' HD13 ' B' ' 59' ' ' LEU . 51.5 m-85 -104.59 143.16 33.43 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.036 0.445 . . . . 0.0 110.004 174.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.724 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 13.3 ttt180 -152.6 154.2 34.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.924 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.36 131.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.15 -44.73 52.67 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.51 0.506 . . . . 0.0 112.013 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.78 164.74 33.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.795 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 12.9 pt-20 -58.47 -32.95 69.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 110.56 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.52 -44.08 93.27 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.953 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' B' ' 67' ' ' LEU . 40.2 t -69.4 -38.74 77.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.965 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.12 95.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 41.0 mtm-85 -66.83 -30.51 70.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.687 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.711 HD13 HD22 ' A' ' 92' ' ' LEU . 65.9 tp -67.49 -50.3 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.516 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.99 -38.73 92.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.313 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.465 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.58 -44.41 94.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.473 176.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.436 ' O ' HG23 ' B' ' 96' ' ' VAL . 57.4 tp -60.08 -52.68 64.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.708 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.78 -30.9 51.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.957 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.81 -42.53 81.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.919 0.39 . . . . 0.0 109.965 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 91' ' ' ALA . 70.4 t -65.6 -44.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.532 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 92' ' ' LEU . 97.2 t -60.49 -44.6 96.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.658 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.17 -54.41 46.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.518 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.23 -37.21 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.629 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -25.75 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.214 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.914 -179.209 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 7' ' ' ARG . 13.8 mmt180 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HZ1' ' CG ' ' B' ' 32' ' ' ASP . 29.1 mtpp -55.68 -45.43 77.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.292 173.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.03 82.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.99 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 15' ' ' VAL . 57.5 tp -76.09 -50.97 13.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.42 -35.06 79.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.42 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.238 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.55 -41.92 75.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.169 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG11 HD22 ' B' ' 22' ' ' LEU . 63.0 t -62.24 -42.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.078 176.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -67.28 -27.34 67.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.17 -51.79 58.97 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.38 -40.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.639 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.16 -39.12 94.07 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.854 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 60.1 mttp -64.92 -33.36 75.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.966 0.383 . . . . 0.0 110.511 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -74.71 -19.36 60.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.03 -30.3 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.043 0.449 . . . . 0.0 110.444 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 73.6 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -139.5 -164.11 1.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.492 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.1 -116.22 2.96 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.153 -1.023 . . . . 0.0 112.311 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -69.46 -3.53 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.49 -34.09 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.185 0.517 . . . . 0.0 110.546 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.569 HD13 HG22 ' B' ' 15' ' ' VAL . 67.6 mt -70.31 -16.0 62.95 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.547 -174.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.04 -32.39 73.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 0.0 109.659 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.431 HG22 HD23 ' A' ' 59' ' ' LEU . 59.7 mt -69.51 -39.45 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.659 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.94 -47.62 85.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.33 -34.49 78.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.59 -39.04 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.643 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.3 -13.92 59.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -27.11 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.61 -25.49 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.993 0.425 . . . . 0.0 110.779 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.27 179.62 35.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.67 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HB3' ' HD3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -74.03 145.11 44.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.881 0.372 . . . . 0.0 110.69 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -141.71 145.09 34.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -80.88 150.27 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 56' ' ' SER . 70.4 t -53.85 -42.33 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 111.332 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.488 ' HA ' HD22 ' A' ' 52' ' ' LEU . 1.7 tm-20 -57.6 -45.44 85.31 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.279 0.562 . . . . 0.0 110.335 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.14 -43.14 68.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 40' ' ' ALA . 78.5 mt -58.24 -50.49 78.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.79 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.98 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.173 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.7 m -60.6 -49.71 76.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.45 86.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.934 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.8 p -83.82 -18.8 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.652 0.263 . . . . 0.0 111.516 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.06 33.31 12.28 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.487 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.8 mtm -124.79 169.52 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -80.02 159.43 26.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.031 0.443 . . . . 0.0 111.516 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' A' ' 42' ' ' GLU . 86.6 mt -60.26 -52.36 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.015 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -40.72 78.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.941 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -63.09 -48.13 79.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.756 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.45 90.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.101 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB3' HG12 ' A' ' 41' ' ' VAL . 10.5 p -63.35 -36.42 83.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.33 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.0 76.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.728 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.436 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 94.9 m-20 -60.77 -42.91 98.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.148 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -64.99 -38.77 92.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.688 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.44 -31.27 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.802 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.53 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 78.4 mt -62.74 -36.93 84.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.682 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.08 -41.76 94.72 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.84 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -68.78 -20.83 64.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.658 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 21' ' ' ALA . . . -87.8 -7.11 75.27 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.276 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.43 11.54 62.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.914 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HA ' HG11 ' A' ' 86' ' ' VAL . 4.4 mm? -77.09 -50.73 12.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG13 ' HA ' ' A' ' 81' ' ' ILE . 27.8 m -134.09 162.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.336 -174.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -119.09 158.44 25.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.971 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.82 116.05 30.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.775 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -99.65 104.38 16.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.606 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -100.73 107.82 19.52 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -125.08 107.7 11.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.222 0.534 . . . . 0.0 110.149 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.16 -121.36 7.57 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.301 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -103.57 -4.59 23.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.405 0.621 . . . . 0.0 109.941 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 10.5 mmp_? -101.57 138.94 37.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.676 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.178 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 63.4 m-85 -101.29 146.6 27.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CD1' HD11 ' A' ' 59' ' ' LEU . 22.7 m-85 -120.89 139.0 53.82 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.185 0.517 . . . . 0.0 110.94 175.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HD3' ' HB3' ' A' ' 38' ' ' GLU . 13.6 tpt180 -135.55 149.15 49.36 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.645 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.429 ' HA ' HG13 ' A' ' 68' ' ' VAL . 41.8 mm -54.44 127.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.79 -52.72 55.62 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.686 0.616 . . . . 0.0 111.526 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.6 157.64 25.8 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.444 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.29 -16.1 63.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.82 -50.49 70.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 170.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.52 HG11 ' HA ' ' A' ' 67' ' ' LEU . 39.6 t -72.09 -34.08 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.478 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.12 92.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.11 -35.65 81.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.0 tt -60.76 -63.28 1.35 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.862 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.56 -37.54 87.71 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.485 0.183 . . . . 0.0 111.007 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -59.81 -48.73 80.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.317 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.1 tp -58.97 -49.2 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.385 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.759 HG13 HG11 ' B' ' 15' ' ' VAL . 93.1 t -54.97 -44.33 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.48 ' HG2' HD21 ' B' ' 11' ' ' LEU . 10.3 tt0 -69.88 -41.55 74.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.372 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 91' ' ' ALA . 80.4 t -65.86 -47.18 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.018 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.02 -39.23 77.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.994 0.426 . . . . 0.0 110.398 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' B' ' 14' ' ' GLN . . . -61.94 -44.99 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.841 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.586 ' HB2' HD23 ' B' ' 11' ' ' LEU . 16.2 t70 -62.06 -53.34 56.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.328 -0.362 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -172.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.649 ' HA ' ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.54 72.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.374 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -82.68 -23.57 34.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.457 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.649 ' HB2' ' HA ' ' B' ' 8' ' ' LYS . 7.0 mp -65.18 -37.77 88.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.34 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.562 ' HA ' HG23 ' B' ' 15' ' ' VAL . 98.7 mt -66.31 -25.04 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.776 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -76.34 -37.63 57.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.31 0.576 . . . . 0.0 109.61 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 14.0 mm100 -66.08 -49.98 65.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.811 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.759 HG11 HG13 ' A' ' 93' ' ' VAL . 28.9 m -67.07 -30.42 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 20' ' ' LYS . . . -66.08 -36.27 82.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.037 0.446 . . . . 0.0 110.417 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' B' ' 64' ' ' SER . 7.5 ttp180 -71.9 -48.14 47.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.499 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' B' ' 15' ' ' VAL . 32.7 m -67.69 -35.71 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.077 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.52 -30.63 64.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.684 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 16' ' ' ALA . 31.2 ttmt -65.8 -33.1 75.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.169 0.509 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' B' ' 62' ' ' LEU . . . -78.47 -38.06 41.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.861 ' HG ' HD23 ' B' ' 28' ' ' LEU . 7.8 tt -78.51 -13.12 59.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.582 -174.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.48 8.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.418 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 34.3 m-80 -122.55 122.11 38.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.722 0.296 . . . . 0.0 111.218 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -40.29 98.59 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.698 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.809 ' HA ' HE21 ' B' ' 29' ' ' GLN . 6.6 ptp85 -69.36 -14.02 62.69 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.615 -0.344 . . . . 0.0 111.417 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.533 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 97.4 mtt180 -93.17 -26.64 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.027 0.441 . . . . 0.0 110.029 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.861 HD23 ' HG ' ' B' ' 22' ' ' LEU . 96.0 mt -72.74 -31.07 64.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.809 HE21 ' HA ' ' B' ' 26' ' ' ARG . 46.7 mt-30 -59.57 -32.6 70.51 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 65.5 mt -66.31 -47.83 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.146 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.62 -41.85 98.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.458 ' CG ' ' HZ1' ' A' ' 8' ' ' LYS . 26.9 t70 -63.37 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.868 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.464 ' HG ' ' HG3' ' B' ' 39' ' ' ARG . 55.1 tp -72.16 -39.4 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.845 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 79.1 mt -71.41 -26.11 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.4 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.417 0.627 . . . . 0.0 109.998 174.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -93.7 15.38 16.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.403 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.88 153.55 7.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.404 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.47 129.5 38.93 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.464 ' HG3' ' HG ' ' B' ' 33' ' ' LEU . 21.1 mmt180 -127.17 149.91 49.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -172.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.9 170.27 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.29 -55.06 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.451 0.47 . . . . 0.0 111.76 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.91 -40.48 84.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.74 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.18 -46.13 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.69 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.25 96.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.332 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.0 m -67.35 -46.04 74.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.3 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.745 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.498 ' HB ' ' HE1' ' B' ' 50' ' ' MET . 22.5 p -89.74 -11.76 41.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.654 0.264 . . . . 0.0 111.421 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.36 36.03 59.72 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.498 ' HE1' ' HB ' ' B' ' 48' ' ' THR . 71.0 mtm -125.51 170.62 11.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.585 0.231 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.74 160.25 28.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.902 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.61 -42.92 93.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -60.92 -48.18 83.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 177.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -59.62 -47.41 85.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.659 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -59.91 -44.74 94.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.391 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.231 0.539 . . . . 0.0 110.166 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.533 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 93.5 m-20 -68.23 -43.52 77.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.603 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 90.4 mt -59.83 -44.44 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.587 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -59.62 -46.32 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.298 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.13 92.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.563 HD21 ' HB1' ' B' ' 21' ' ' ALA . 98.7 mt -67.57 -32.71 73.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.545 ' HZ3' ' HA ' ' B' ' 69' ' ' GLU . 49.7 tttp -76.43 -35.13 58.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.716 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' SER . . . . . 0.469 ' O ' ' HD2' ' B' ' 17' ' ' ARG . 32.1 m -67.27 -28.35 67.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.441 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -73.72 -25.97 70.66 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.492 174.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.36 23.01 25.4 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.079 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.455 ' HA ' HG12 ' B' ' 86' ' ' VAL . 7.3 mp -91.7 -32.81 15.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -176.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.26 152.52 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 111.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.545 ' HA ' ' HZ3' ' B' ' 63' ' ' LYS . 41.8 mt-10 -131.39 163.9 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.732 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.527 ' HB1' ' CD2' ' B' ' 79' ' ' TYR . . . -136.99 163.35 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.093 0.473 . . . . 0.0 111.808 -175.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 71' ' ' ARG . 9.4 ptp85 -128.73 151.3 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.635 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -96.07 117.04 29.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.74 0.305 . . . . 0.0 110.672 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -127.48 97.07 4.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.939 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.85 -125.12 10.95 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -90.91 -14.56 31.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.033 0.444 . . . . 0.0 110.548 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -94.52 158.61 15.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.669 0.747 . . . . 0.0 112.514 -174.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -131.75 127.65 37.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.398 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -105.84 126.97 52.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.31 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.527 ' CD2' ' HB1' ' B' ' 70' ' ' ALA . 55.2 m-85 -108.23 151.78 25.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.094 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -162.05 162.06 28.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.06 134.62 16.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.203 0.314 . . . . 0.0 110.446 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.62 -65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.712 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.31 149.53 18.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.012 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.1 OUTLIER -68.68 -27.03 65.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.732 0.301 . . . . 0.0 110.39 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 31.2 t70 -71.42 -31.54 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.216 0.532 . . . . 0.0 109.745 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' B' ' 67' ' ' LEU . 52.7 t -65.71 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 109.364 173.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.81 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.988 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 83.5 mtt-85 -65.46 -38.97 91.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.293 176.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 93' ' ' VAL . 7.2 tt -63.76 -47.92 79.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.103 178.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -63.1 -38.73 92.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.502 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -64.46 -43.05 95.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.368 177.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.49 -52.5 64.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.945 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 89' ' ' LEU . 10.6 p -62.73 -32.89 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.873 0.368 . . . . 0.0 111.012 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -69.34 -41.18 76.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.502 HG21 ' O ' ' B' ' 91' ' ' ALA . 83.9 t -63.41 -44.17 98.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.435 177.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.55 -46.12 90.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.528 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.87 86.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.145 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.75 -48.65 76.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.541 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.416 -175.003 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.624 0.25 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HZ3' ' CG ' ' B' ' 32' ' ' ASP . 37.1 tttm -62.3 -29.43 70.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.66 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.722 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.23 -27.33 63.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.25 0.548 . . . . 0.0 110.574 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.1 mp -68.9 -30.82 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.643 176.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.99 -32.75 73.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.124 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -64.67 -38.26 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.038 0.446 . . . . 0.0 110.274 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.478 ' HB3' ' HB2' ' B' ' 97' ' ' ALA . 5.0 tp-100 -69.61 -41.27 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.968 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 11' ' ' LEU . 53.2 t -57.22 -41.82 78.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.85 79.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.391 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -68.38 -32.2 72.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 62.0 t -66.99 -50.61 62.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.15 94.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.381 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.77 -40.44 95.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 0.0 110.316 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . -68.1 -28.78 67.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.792 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.486 HD22 HD22 ' A' ' 67' ' ' LEU . 74.5 mt -90.2 2.84 54.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.51 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.39 14.09 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -137.62 124.15 20.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.678 0.275 . . . . 0.0 110.709 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.06 -39.61 97.38 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.412 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.19 -24.58 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 111.037 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 58' ' ' ASN . 37.6 ttm180 -80.37 -28.91 37.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.001 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.47 -22.34 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.265 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.63 -30.94 71.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.13 175.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.9 mm -63.96 -45.44 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.98 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.65 -38.63 91.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 17.2 t70 -62.84 -39.52 94.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 HD13 HG22 ' A' ' 44' ' ' ILE . 10.1 tt -71.28 -41.32 70.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.14 -21.67 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.79 -13.53 60.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.179 0.514 . . . . 0.0 110.376 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 55.5 mt-30 -92.61 -3.97 54.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.31 155.42 7.74 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.493 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 9.9 pt-20 -72.26 147.63 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.501 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -151.55 153.32 34.31 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.304 -170.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 155.57 39.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.25 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.6 t -50.31 -55.68 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.437 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HG2' HD23 ' A' ' 52' ' ' LEU . 52.7 mt-10 -61.95 -35.85 79.68 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 111.151 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . . . -67.49 -43.71 80.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.454 HG22 HD13 ' A' ' 33' ' ' LEU . 76.9 mt -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.244 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.32 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.07 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -59.34 -46.54 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.79 95.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.644 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.6 p -79.39 -20.12 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.65 15.88 55.91 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.233 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtm -105.44 168.47 9.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.592 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -84.44 167.25 16.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD23 ' HG2' ' A' ' 42' ' ' GLU . 10.5 mp -64.08 -38.47 91.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.432 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 p -59.8 -46.93 87.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.172 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.6 m -64.62 -46.01 84.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.786 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -62.15 -52.2 64.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.584 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 59' ' ' LEU . 19.3 p -62.09 -36.4 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.777 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.63 -46.15 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.019 0.437 . . . . 0.0 110.699 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' HB3' ' HG3' ' A' ' 27' ' ' ARG . 89.9 m-20 -64.3 -36.77 85.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.687 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 56' ' ' SER . 94.1 mt -63.06 -49.5 74.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.949 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.04 -35.35 80.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.02 76.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.071 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.77 -33.08 74.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.972 0.415 . . . . 0.0 110.693 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -67.26 -41.52 85.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.755 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.54 -21.8 74.71 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.905 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.41 26.87 12.69 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.427 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.486 HD22 HD22 ' A' ' 22' ' ' LEU . 11.2 mp -101.23 -47.34 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.707 0.289 . . . . 0.0 111.754 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 m -117.1 152.88 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.235 0.54 . . . . 0.0 111.811 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -122.59 163.84 19.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.911 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -120.56 142.43 49.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.175 0.512 . . . . 0.0 112.053 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 71' ' ' ARG . 24.3 mtp180 -100.33 143.06 30.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.234 171.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.459 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 29.9 mtp-105 -121.86 96.68 5.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.981 0.42 . . . . 0.0 110.305 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.0 103.34 13.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.61 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.88 -107.09 1.91 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.192 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -111.89 0.86 16.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.3 mtt85 -97.6 139.9 32.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 111.257 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.459 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 28.0 mt-30 -117.84 117.2 28.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.336 176.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.9 m-85 -101.61 146.47 27.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.78 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -113.61 143.33 44.75 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.561 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 19.3 ttt180 -142.39 150.05 40.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.745 -170.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.45 129.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.63 6.68 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 161.76 158.57 9.55 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.83 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 12.9 pt-20 -68.59 -15.58 63.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.881 0.34 . . . . 0.0 110.495 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -47.53 86.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.124 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.431 HG13 ' HG ' ' A' ' 67' ' ' LEU . 96.0 t -66.08 -41.45 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 175.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.47 85.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.198 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 65.8 mtt180 -65.72 -34.39 78.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.81 -50.93 71.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.77 -41.9 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.601 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -64.98 -41.36 95.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.45 ' O ' HG21 ' A' ' 96' ' ' VAL . 8.6 tt -63.95 -53.26 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.675 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.79 -31.02 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.65 -40.26 95.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 91' ' ' ALA . 74.2 t -62.32 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.046 0.45 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.55 HG23 HD12 ' B' ' 89' ' ' LEU . 60.5 t -60.85 -25.5 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.142 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.96 -48.42 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.69 -47.68 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -171.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -169.124 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.7 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.303 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.13 76.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.972 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.89 -42.5 69.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.328 0.585 . . . . 0.0 109.628 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.74 -32.83 72.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.41 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -33.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.02 -43.79 74.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.831 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.27 -41.21 86.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 121.307 0.575 . . . . 0.0 110.073 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -58.88 -37.1 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.934 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.01 -42.73 99.47 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.12 -48.97 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.369 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.59 -30.52 77.6 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.298 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -65.57 -34.29 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.89 -17.78 32.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.81 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.96 -7.63 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.352 0.596 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' B' ' 24' ' ' ASN . . . -82.44 145.44 29.84 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' B' ' 23' ' ' ALA . 0.9 OUTLIER 81.55 112.29 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.606 1.191 . . . . 0.0 110.773 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.96 -20.42 74.57 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.748 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -52.41 -42.99 64.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.97 0.385 . . . . 0.0 112.029 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' B' ' 27' ' ' ARG . 6.0 ptt180 -90.99 -10.21 43.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 111.196 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.91 -25.8 59.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.76 -29.42 69.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.146 173.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 70.7 mt -68.94 -48.74 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.492 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.27 -37.88 78.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.212 0.529 . . . . 0.0 110.244 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' A' ' 8' ' ' LYS . 23.2 t70 -64.68 -40.49 95.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.13 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 56.4 tp -71.58 -39.2 70.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.732 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 56.8 mt -75.67 -12.8 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.83 -15.2 59.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.253 0.549 . . . . 0.0 110.071 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -98.97 4.84 47.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.274 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.53 172.65 13.14 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 10.4 pt-20 -85.37 139.2 31.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.895 0.378 . . . . 0.0 110.585 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -134.82 157.61 46.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.352 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -74.31 153.45 39.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.964 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.29 -43.9 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.07 -38.33 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.713 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.29 86.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.198 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 40' ' ' ALA . 74.6 mt -61.53 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.491 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.05 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.255 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -72.09 -49.04 39.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -28.81 70.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.909 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -88.03 -23.68 23.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.666 0.27 . . . . 0.0 111.429 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.5 35.61 22.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.252 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.3 mtm -126.45 161.24 28.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.76 140.3 58.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.834 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -53.03 -52.86 57.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.01 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 18.2 m -63.64 -40.82 97.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -66.0 -39.92 90.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.151 0.5 . . . . 0.0 110.668 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 31.5 m -59.84 -41.08 90.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.25 95.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.761 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.24 -33.81 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.76 -34.41 77.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -70.02 -37.59 75.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.285 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -39.51 87.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.025 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.732 ' HA ' ' HA3' ' B' ' 66' ' ' GLY . 91.5 mt -75.82 -6.58 51.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' B' ' 63' ' ' LYS . 38.4 ttmt -80.12 -70.36 0.52 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 169.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -58.48 -33.1 69.41 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.62 22.75 2.99 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.704 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.732 ' HA3' ' HA ' ' B' ' 62' ' ' LEU . . . -121.63 -20.45 3.19 Favored Glycine 0 CA--C 1.507 -0.467 0 C-N-CA 119.743 -1.218 . . . . 0.0 111.502 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.556 ' HB2' HG13 ' B' ' 86' ' ' VAL . 6.4 mt 76.46 43.09 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.731 -0.734 . . . . 0.0 112.006 168.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 62' ' ' LEU . 27.5 m -119.06 162.25 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 172.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.571 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 53.3 mt-10 -115.08 163.78 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.1 136.12 54.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.221 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -127.2 122.6 34.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.387 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 72' ' ' ARG . 51.9 mtt180 -97.29 108.63 21.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -111.58 87.26 2.51 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.24 -114.18 5.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.432 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.9 p -100.29 15.52 27.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.352 0.596 . . . . 0.0 110.703 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -107.83 127.72 53.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.641 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.551 ' HA ' HE21 ' B' ' 77' ' ' GLN . 0.0 OUTLIER -107.86 104.05 13.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.939 174.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -97.1 139.82 32.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.15 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.477 ' O ' HD21 ' B' ' 34' ' ' LEU . 13.2 m-85 -122.83 147.06 46.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.186 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 10.8 ttm180 -159.44 161.49 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.496 ' H ' ' HG2' ' B' ' 80' ' ' ARG . 59.8 mt -56.6 138.7 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 123.266 0.354 . . . . 0.0 110.194 176.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.571 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -62.77 -32.01 73.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.58 175.14 45.74 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.166 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 14.5 pt-20 -68.18 -21.89 64.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.961 0.41 . . . . 0.0 110.256 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.83 -46.64 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.583 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.556 HG13 ' HB2' ' B' ' 67' ' ' LEU . 21.7 t -76.48 -35.66 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.633 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.9 83.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.777 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 45.9 mtt180 -65.42 -36.69 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.55 HD12 HG23 ' A' ' 96' ' ' VAL . 7.2 tt -59.32 -61.17 2.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.63 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.67 -36.34 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.58 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -62.22 -49.94 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.595 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.72 -44.16 93.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.393 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 89' ' ' LEU . 69.9 t -60.33 -40.66 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.025 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.1 -38.43 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.58 HG21 ' O ' ' B' ' 91' ' ' ALA . 98.6 t -57.06 -41.83 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.611 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.18 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.579 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 14' ' ' GLN . . . -67.42 -26.12 66.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.472 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.48 -61.51 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.932 -173.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 10.9 m170 . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.229 -178.43 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -71.18 -14.02 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.571 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.3 70.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.697 0.284 . . . . 0.0 110.761 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.07 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.482 . . . . 0.0 110.235 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 15' ' ' VAL . 87.8 mt -70.71 -35.97 73.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.769 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.59 -34.22 77.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.24 -38.24 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.06 -35.35 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.385 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 11' ' ' LEU . 61.5 t -64.39 -41.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' HA2' ' B' ' 25' ' ' GLY . . . -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.715 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.56 -51.63 68.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.22 -29.13 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.49 -35.68 87.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.08 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.7 mtpt -63.34 -40.26 96.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.447 . . . . 0.0 110.352 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.81 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.599 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.4 mt -88.85 26.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.789 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.53 2.96 6.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.673 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.902 ' HB2' ' HA ' ' B' ' 16' ' ' ALA . 16.1 m120 60.93 -154.21 0.37 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.098 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.45 -160.08 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.2 mtm-85 -69.23 -13.3 62.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 111.368 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -73.47 -10.52 59.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 110.538 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 24' ' ' ASN . 73.3 mt -73.2 -16.69 61.41 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HB2' HG22 ' A' ' 48' ' ' THR . 76.7 mt-30 -60.14 -31.9 70.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.554 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 65.1 mt -68.46 -50.95 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.282 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.41 -39.35 90.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.253 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.49 -41.91 98.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 110.162 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 37.5 tp -69.14 -29.65 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.0 mt -89.42 -6.32 56.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.96 0.409 . . . . 0.0 110.983 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.54 -25.19 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.3 pt20 -84.08 -17.97 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 -161.92 34.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.764 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -96.5 133.76 40.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG2' HD23 ' A' ' 33' ' ' LEU . 23.0 tpp180 -135.24 141.22 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.071 -174.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -76.32 155.47 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.65 -46.21 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.868 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.504 ' HA ' HD13 ' A' ' 52' ' ' LEU . 2.8 mp0 -57.97 -41.48 83.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.868 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -40.47 77.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.428 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.1 mt -59.97 -50.81 78.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.767 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.35 90.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.078 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 m -65.89 -48.66 70.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.674 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 29' ' ' GLN . 21.3 p -84.77 -20.33 31.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.976 0.417 . . . . 0.0 111.246 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.19 53.71 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.222 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.7 mtm -118.16 176.33 5.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.627 0.251 . . . . 0.0 110.391 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -84.89 162.16 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.508 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 42' ' ' GLU . 4.0 mm? -57.31 -53.33 59.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.346 0.403 . . . . 0.0 110.598 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -60.62 -35.22 75.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.262 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 m -69.07 -40.26 78.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.268 0.556 . . . . 0.0 110.437 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.95 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.197 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 m -58.72 -31.47 68.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.61 86.07 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.436 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.3 m-80 -72.77 -35.53 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 90.7 mt -62.96 -42.1 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.243 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.97 71.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.414 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 76.5 mt -60.73 -39.8 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -74.89 -35.21 62.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.236 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.3 p -67.59 -20.58 65.39 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.838 0.351 . . . . 0.0 110.386 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -15.52 62.26 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.6 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.37 17.27 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.446 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.561 ' HA ' HG22 ' A' ' 86' ' ' VAL . 22.3 mt -93.99 -48.04 6.43 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.432 -178.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.76 159.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 111.583 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.36 153.64 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.277 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.3 109.49 16.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.762 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -111.64 104.82 13.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 42.7 ttp85 -81.68 133.0 35.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 0.0 110.471 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -124.35 103.32 8.14 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.62 -104.31 1.43 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.579 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.6 m -106.66 -22.14 12.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -105.34 158.13 16.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.126 0.489 . . . . 0.0 111.326 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.543 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 23.1 mt-30 -112.73 133.3 54.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.617 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -98.7 130.98 45.21 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 44.9 m-85 -111.5 149.0 31.96 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.044 0.449 . . . . 0.0 110.234 176.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -157.88 146.98 19.55 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.317 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.88 126.64 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.47 -77.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.106 0.479 . . . . 0.0 111.623 -172.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -101.42 158.01 18.83 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.322 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 9.2 pt-20 -70.07 -16.66 63.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.403 ' OD1' HG23 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -57.92 -47.2 83.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 0.0 110.349 173.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 67' ' ' LEU . 62.5 t -66.07 -45.21 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.565 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.51 83.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.837 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 49.1 mtt180 -65.19 -41.16 94.82 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.521 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.43 -43.87 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.845 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.4 -48.29 81.12 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 95' ' ' VAL . . . -68.92 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 tt -62.73 -51.63 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.75 -31.27 52.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.185 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 91' ' ' ALA . 95.7 t -64.77 -41.73 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 92' ' ' LEU . 83.6 t -55.28 -51.53 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.6 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.22 72.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.93 -49.21 48.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.379 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.839 -176.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.29 83.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.321 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.568 ' O ' HG21 ' B' ' 15' ' ' VAL . 54.2 tp -72.58 -44.82 61.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.799 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.41 -35.06 76.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.13 -42.06 96.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.884 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.56 -40.91 80.42 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.207 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.568 HG21 ' O ' ' B' ' 11' ' ' LEU . 41.6 t -62.89 -35.17 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.708 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.902 ' HA ' ' HB2' ' A' ' 24' ' ' ASN . . . -61.0 -33.23 72.93 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' B' ' 17' ' ' ARG . 2.4 tpm_? -58.9 -52.69 64.66 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.391 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.48 -47.25 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.016 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.584 ' HA3' ' OD1' ' A' ' 24' ' ' ASN . . . -60.92 -47.33 91.81 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.245 -176.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' B' ' 20' ' ' LYS . 31.0 mtpt -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.994 0.397 . . . . 0.0 111.304 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.97 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.524 HD21 HD12 ' B' ' 67' ' ' LEU . 97.6 mt -75.59 -22.26 57.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.1 84.62 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.236 0.541 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.43 ' OD1' ' HB3' ' B' ' 27' ' ' ARG . 9.1 p30 -158.84 151.69 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.532 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.508 ' HA2' ' HB3' ' A' ' 16' ' ' ALA . . . -102.04 -80.19 1.46 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.432 -0.889 . . . . 0.0 113.173 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.6 -12.49 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.43 ' HB3' ' OD1' ' B' ' 24' ' ' ASN . 43.2 ttm180 -70.08 -18.1 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.104 0.478 . . . . 0.0 110.468 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.22 -12.82 61.07 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.515 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.33 -32.55 70.19 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.211 0.529 . . . . 0.0 109.845 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.403 ' O ' HD22 ' B' ' 34' ' ' LEU . 72.3 mt -66.75 -48.9 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.045 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.09 -33.1 73.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 10.1 t70 -61.79 -51.48 68.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.529 . . . . 0.0 110.013 174.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.52 -38.31 89.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.4 mm? -75.25 -24.13 57.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.981 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -21.89 61.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 54.5 mt-30 -88.55 -12.83 41.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.713 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.78 164.5 13.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.628 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.04 139.07 35.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.511 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -142.72 157.95 44.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.477 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -79.49 158.87 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.9 -43.33 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.886 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.481 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 41.1 tt0 -61.07 -39.75 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.178 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.85 73.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.973 0.416 . . . . 0.0 110.668 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.55 -46.99 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.861 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' B' ' 52' ' ' LEU . . . -64.69 -47.56 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.598 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -63.17 -43.24 98.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.219 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.52 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.719 0.295 . . . . 0.0 111.588 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.5 p -86.53 -15.99 38.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.502 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.38 28.58 32.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.648 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.5 mtm -118.28 170.84 8.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.826 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.5 158.54 28.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 73.5 mt -63.57 -39.75 95.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.907 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.7 m -67.65 -34.81 77.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.974 0.416 . . . . 0.0 110.551 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -69.14 -44.36 72.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.063 0.459 . . . . 0.0 110.398 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -61.61 -49.53 76.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.262 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.3 p -62.0 -36.53 81.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.547 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.77 91.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.747 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -69.94 -36.51 75.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 97.1 mt -64.61 -39.38 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.408 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.75 -41.2 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.56 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.3 -34.21 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -69.7 -33.75 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.0 m -71.16 -22.53 62.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.461 . . . . 0.0 110.511 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.57 -10.55 70.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.311 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.91 18.23 54.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.708 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.524 HD12 HD21 ' B' ' 22' ' ' LEU . 3.7 mm? -83.92 -49.91 8.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.07 155.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 111.273 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -114.05 169.81 8.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.79 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.31 118.68 29.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.065 0.459 . . . . 0.0 111.44 -176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -104.8 157.13 17.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.734 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -131.02 118.1 20.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.766 0.317 . . . . 0.0 110.812 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.27 103.96 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.141 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.89 -109.21 2.73 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.325 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.8 m -107.23 0.64 23.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.611 0.719 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -101.83 144.47 30.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 22.7 mt-30 -116.0 108.91 16.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 173.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -94.31 124.58 38.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.632 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.86 148.65 24.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.509 ' HA ' HD12 ' B' ' 34' ' ' LEU . 42.0 ttt-85 -152.95 156.25 38.53 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.425 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 44.3 mm -55.47 132.19 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -47.68 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -146.67 167.16 28.18 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.468 -178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 37.8 tt0 -65.85 -33.96 77.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.04 -41.05 91.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.632 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 48.8 t -70.01 -39.66 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.136 0.493 . . . . 0.0 110.436 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.18 96.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 57.5 mtp180 -72.94 -24.13 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.512 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.03 -45.48 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.42 ' HA ' HG13 ' B' ' 93' ' ' VAL . 91.7 t80 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.181 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.56 -41.62 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.21 -46.86 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' B' ' 90' ' ' PHE . 10.7 p -66.31 -28.21 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.67 -42.56 99.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.643 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.04 -40.12 86.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' B' ' 100' ' ' HIS . 61.2 t -64.01 -28.14 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.174 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.59 -30.7 14.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.749 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.51 -70.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 111.442 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -67.13 -43.11 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.337 0.589 . . . . 0.0 110.959 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' B' ' 96' ' ' VAL . 39.1 t-80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.893 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 4.6 mmp_? . . . . . 0 N--CA 1.463 0.196 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.9 -33.93 59.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.882 0.372 . . . . 0.0 110.465 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.43 87.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.9 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.188 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 77.1 mt -67.72 -47.25 69.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 109.972 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.446 ' HA ' HG21 ' A' ' 15' ' ' VAL . 90.2 mt -69.36 -31.49 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.807 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.67 -44.85 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -65.63 -44.09 87.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.505 HG12 HG21 ' B' ' 93' ' ' VAL . 30.3 m -67.42 -32.01 55.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.011 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -70.06 -39.07 75.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.83 -45.32 78.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 176.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 67' ' ' LEU . 60.7 t -62.42 -45.26 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.519 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.45 92.39 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.487 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 61.3 mtpt -62.01 -37.98 86.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.974 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.4 72.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.234 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.1 mt -85.56 -3.87 58.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.784 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.36 16.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.475 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.9 t-20 -142.21 118.46 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 29' ' ' GLN . . . -61.43 -33.6 85.28 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.607 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.87 -24.35 64.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.911 0.355 . . . . 0.0 111.135 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -81.82 -31.49 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.389 0.614 . . . . 0.0 109.392 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 79.4 mt -71.13 -28.85 64.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.728 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 76.6 mt-30 -59.39 -33.54 71.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.189 0.519 . . . . 0.0 109.932 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.513 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.9 mt -70.32 -43.77 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.38 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.1 -37.8 78.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.03 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CG ' ' HZ1' ' B' ' 8' ' ' LYS . 28.1 t70 -60.88 -49.72 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.249 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 85.8 mt -58.28 -39.92 80.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.88 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 57.7 mt -76.97 -13.61 59.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.237 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.8 49.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.99 -37.49 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.51 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 34' ' ' LEU . . . 173.64 -173.95 45.98 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 144.81 35.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.198 0.523 . . . . 0.0 110.615 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -137.7 131.75 31.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.501 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.28 159.34 33.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.736 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.7 t -48.57 -41.93 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.471 0.482 . . . . 0.0 111.217 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.77 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.234 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.39 94.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.43 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.428 HD12 HD21 ' A' ' 59' ' ' LEU . 82.8 mt -61.05 -47.53 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.251 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.14 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.139 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -61.77 -45.26 94.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.32 66.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.2 p -98.45 -14.76 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.116 0.484 . . . . 0.0 111.181 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 32.78 47.76 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.95 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.4 mtm -118.19 172.16 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -85.46 158.4 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -57.77 -41.59 82.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.402 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -70.31 -38.98 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.956 0.408 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.3 m -59.21 -48.53 81.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.149 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.95 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.544 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 37.2 t -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.622 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.23 77.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.077 0.465 . . . . 0.0 110.897 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.49 -42.85 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.686 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.428 HD21 HD12 ' A' ' 44' ' ' ILE . 90.2 mt -64.63 -37.29 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.344 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 56' ' ' SER . 77.1 mt-30 -60.66 -44.51 96.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.681 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.68 81.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 0.0 110.255 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.67 -39.07 87.05 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.668 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -69.62 -42.81 73.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.649 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.8 p -68.62 -22.23 64.44 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 111.259 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.28 -16.49 78.71 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.412 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.18 18.88 58.45 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.068 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 18' ' ' VAL . 7.8 mp -89.83 -39.21 13.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.86 158.03 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.009 0.433 . . . . 0.0 111.69 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.55 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 38.1 mt-10 -116.19 158.27 23.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.033 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.94 109.45 20.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.598 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -98.19 106.14 18.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.853 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -89.79 110.06 21.0 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.098 0.475 . . . . 0.0 110.052 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.45 107.61 15.77 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.09 -116.83 5.42 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -110.23 -2.05 17.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.165 0.507 . . . . 0.0 109.976 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -102.11 140.09 36.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.565 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -112.98 116.47 30.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.873 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.2 m-85 -100.76 131.16 46.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.001 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.26 146.4 27.58 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 0.0 110.339 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -153.17 162.96 40.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.599 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -59.92 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.55 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.23 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.323 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.51 166.5 28.67 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.908 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -54.42 -35.95 63.47 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.465 0.306 . . . . 0.0 111.093 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 33.9 t70 -63.87 -38.39 90.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 67' ' ' LEU . 44.2 t -67.51 -37.21 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.164 0.506 . . . . 0.0 109.73 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.39 86.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.096 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 62.0 mtp180 -56.05 -40.78 74.03 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.51 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.16 -51.23 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.498 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -66.04 -36.58 83.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.049 0.452 . . . . 0.0 110.763 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.488 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -66.47 -40.62 89.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.424 ' O ' HG21 ' A' ' 96' ' ' VAL . 57.0 tp -64.46 -48.62 74.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -177.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.93 -32.0 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.485 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.24 -44.76 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.501 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 91' ' ' ALA . 92.9 t -61.96 -47.14 94.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.332 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' B' ' 85' ' ' ASP . 92.5 t -55.04 -45.78 76.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.081 176.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.88 53.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.898 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.29 -48.87 67.99 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 111.913 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.781 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.459 ' HZ1' ' CG ' ' A' ' 32' ' ' ASP . 63.1 tttp . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.112 0.482 . . . . 0.0 110.043 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.07 72.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.241 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -61.25 -37.96 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.59 -38.82 77.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.06 0.457 . . . . 0.0 110.098 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.33 -29.7 68.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.14 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.48 -35.93 58.12 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.537 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 85.3 mm-40 -64.9 -44.59 89.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.929 0.395 . . . . 0.0 110.82 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.468 HG22 HD13 ' A' ' 28' ' ' LEU . 27.6 m -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.511 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -72.83 -37.96 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.218 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -57.72 -51.68 68.55 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.51 -33.12 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.68 98.54 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.909 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 94.5 mttt -59.31 -37.53 77.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.849 0.357 . . . . 0.0 110.64 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.46 -25.78 54.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.393 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.45 -28.38 31.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 78.11 2.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.703 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 22.9 t-20 -179.33 99.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.787 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.508 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . -61.62 -23.92 63.51 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 114.218 -172.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -71.34 -48.33 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.328 0.564 . . . . 0.0 111.864 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.419 ' HD3' ' OD1' ' B' ' 58' ' ' ASN . 5.3 ptt180 -82.67 -8.65 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.833 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 79.7 mt -66.27 -20.89 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.218 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.93 -29.34 69.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.345 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.417 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.7 mt -68.48 -44.46 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.257 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.13 -40.35 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.435 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.07 -36.42 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 53.6 tp -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.25 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.479 ' HB3' ' HA ' ' B' ' 80' ' ' ARG . 64.6 mt -82.91 -6.94 59.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.357 . . . . 0.0 111.394 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.01 -14.16 56.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.086 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 11.6 pt20 -105.87 4.02 29.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.985 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.13 167.83 15.13 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.352 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.608 ' HA ' ' HB3' ' B' ' 80' ' ' ARG . 8.9 pt-20 -79.73 120.06 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.185 0.517 . . . . 0.0 110.574 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -115.8 145.25 42.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -77.73 158.87 29.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.99 -36.13 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 123.408 0.442 . . . . 0.0 111.508 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.436 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.1 mt-10 -60.47 -51.96 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.533 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.56 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.691 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.78 -51.67 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.0 81.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.154 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.85 -47.27 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.6 66.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.997 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.425 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 32.5 p -98.38 -6.05 31.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.97 36.31 36.37 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.724 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.425 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 24.2 ptp -133.57 174.94 9.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.746 0.308 . . . . 0.0 110.698 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -90.21 158.09 17.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.317 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.436 HD21 ' HG2' ' B' ' 42' ' ' GLU . 10.0 mp -53.02 -43.71 66.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.616 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.3 m -65.36 -40.87 94.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.863 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 15.3 m -62.42 -44.87 95.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.267 0.556 . . . . 0.0 110.133 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -63.3 -48.81 76.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.729 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 26.0 t -55.59 -41.34 73.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.024 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.01 83.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.419 ' OD1' ' HD3' ' B' ' 27' ' ' ARG . 45.6 m-80 -67.77 -36.67 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 95.4 mt -62.92 -37.56 87.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.936 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.514 ' CA ' HE21 ' B' ' 60' ' ' GLN . 0.0 OUTLIER -69.11 -32.85 72.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.758 178.151 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.51 -40.93 76.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.709 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 0.0 110.587 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -72.73 -38.01 67.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.754 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -72.68 -28.23 62.57 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.1 -23.37 77.21 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.578 171.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.01 25.5 14.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.546 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.471 HD12 HG12 ' B' ' 86' ' ' VAL . 3.1 mm? -92.88 -49.2 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.546 -177.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.92 156.93 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.248 0.547 . . . . 0.0 112.214 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.444 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 38.5 mt-10 -113.83 163.97 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.13 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.77 130.51 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.999 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -125.05 112.51 16.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.715 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -92.1 120.28 32.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -131.63 125.59 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.0 0.428 . . . . 0.0 110.28 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.82 -101.12 1.27 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -131.34 -1.14 3.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -109.35 148.69 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 -175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -108.67 124.5 50.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.91 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 53.3 m-85 -99.51 126.1 45.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.039 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.416 ' CD1' HD12 ' B' ' 59' ' ' LEU . 53.7 m-85 -111.96 148.8 32.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.608 ' HB3' ' HA ' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -162.04 163.36 28.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.9 mm -56.4 129.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.561 0.538 . . . . 0.0 109.732 175.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.444 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -53.86 -71.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.664 0.603 . . . . 0.0 112.022 -175.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.46 -154.78 6.98 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.283 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.49 ' HG3' ' HD2' ' B' ' 88' ' ' ARG . 6.6 tp10 -59.98 -46.39 89.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.039 -0.58 . . . . 0.0 110.921 -175.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . 0.481 ' HB2' HG11 ' A' ' 96' ' ' VAL . 12.3 p-10 -56.3 -44.71 80.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.82 -176.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.471 HG12 HD12 ' B' ' 67' ' ' LEU . 54.3 t -69.36 -44.68 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.98 0.419 . . . . 0.0 111.178 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.97 92.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.13 -177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.49 ' HD2' ' HG3' ' B' ' 84' ' ' GLU . 55.9 mtp180 -64.52 -43.11 95.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.21 -55.97 17.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.527 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -67.07 -44.37 80.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.197 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.424 ' O ' HG11 ' B' ' 96' ' ' VAL . 49.6 tp -61.4 -46.58 89.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.118 -176.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.505 HG21 HG12 ' A' ' 15' ' ' VAL . 9.2 p -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.675 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -70.26 -37.38 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.527 HG22 ' O ' ' B' ' 91' ' ' ALA . 73.4 t -62.99 -46.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 177.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' B' ' 100' ' ' HIS . 7.5 m -65.37 -25.66 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.696 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.18 -54.02 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.11 -48.07 77.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.934 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -69.71 -24.84 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.412 . . . . 0.0 110.962 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' B' ' 96' ' ' VAL . 19.6 m-70 . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.754 0.311 . . . . 0.0 111.171 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.481 0.181 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.68 -32.0 69.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.311 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.458 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.64 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.2 -45.26 63.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.226 0.536 . . . . 0.0 109.734 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' B' ' 28' ' ' LEU . 87.4 mt -67.12 -30.73 70.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.447 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.38 -41.06 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.12 -41.53 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.442 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -58.94 -37.96 77.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.473 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -67.08 -41.77 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.311 -0.156 . . . . 0.0 111.342 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.86 -51.0 77.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.45 0.643 . . . . 0.0 110.023 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.31 77.67 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 51.3 tttm -67.91 -34.8 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.771 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.9 -34.86 64.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' HG ' HD23 ' A' ' 28' ' ' LEU . 8.9 tt -80.55 -17.49 51.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.75 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' B' ' 20' ' ' LYS . . . -70.11 98.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -175.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.677 ' HA ' ' HB1' ' B' ' 16' ' ' ALA . 27.2 t-20 65.99 104.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.529 172.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.71 149.04 6.11 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.127 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.17 -4.49 53.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HG2' ' OD1' ' A' ' 58' ' ' ASN . 96.0 mtt180 -56.86 -21.27 28.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.141 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.5 HD23 ' HG ' ' A' ' 22' ' ' LEU . 88.1 mt -65.21 -13.76 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.349 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.13 -25.62 68.17 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.5 mm -64.43 -52.59 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 67' ' ' LEU . 97.7 mt -63.91 -36.94 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.406 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.77 -46.28 87.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.488 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 38.4 tp -69.3 -37.34 77.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.003 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.9 mt -76.8 -16.68 59.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 0.0 111.246 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -14.6 61.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.222 0.534 . . . . 0.0 110.157 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' OE1' HD11 ' A' ' 33' ' ' LEU . 81.0 mt-30 -86.89 -24.77 24.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.594 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.79 173.76 24.81 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.8 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.573 ' HG3' ' HB2' ' A' ' 80' ' ' ARG . 44.0 tt0 -71.46 128.51 36.08 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 37.9 mmt180 -119.58 148.77 42.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -175.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -82.22 156.72 24.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 77' ' ' GLN . 66.5 t -53.51 -46.05 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.729 0.3 . . . . 0.0 111.501 -177.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.64 -43.58 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.178 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.59 98.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.572 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.4 mt -60.01 -48.85 86.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.456 177.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.85 42.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.9 m -59.56 -47.82 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.14 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.6 p -85.33 -16.89 38.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.86 0.362 . . . . 0.0 111.299 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.8 16.79 53.99 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.7 mtm -109.89 178.55 4.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.68 0.276 . . . . 0.0 110.376 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -105.27 169.5 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 52' ' ' LEU . 4.3 mm? -58.83 -45.95 88.82 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -62.06 -48.37 80.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 0.0 111.569 -176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.4 m -66.42 -39.96 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.561 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -60.75 -50.19 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.684 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -60.07 -36.73 78.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.054 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.79 76.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.432 ' OD1' ' HG2' ' A' ' 27' ' ' ARG . 40.3 m-80 -68.83 -36.7 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 97.6 mt -59.22 -46.51 88.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.57 -44.0 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.55 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.273 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.61 -28.38 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.62 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 56.6 tttm -72.14 -35.8 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.364 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 m -65.68 -32.92 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.26 -24.48 76.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.938 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.25 21.52 17.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.607 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 31' ' ' LEU . 3.8 mm? -86.23 -42.13 14.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.431 . . . . 0.0 111.177 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -123.37 158.12 28.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 112.16 -174.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -119.9 171.4 8.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.617 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.79 131.84 29.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.907 0.384 . . . . 0.0 111.876 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -127.56 124.1 37.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.467 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 4.3 ptm180 -98.72 138.65 35.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.555 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.84 103.45 6.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.086 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.74 -105.98 1.8 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.081 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -107.97 -16.45 14.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.201 0.524 . . . . 0.0 110.096 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -94.15 158.38 15.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.702 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 64.2 tt0 -132.9 123.82 26.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.396 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 55.8 m-85 -100.15 135.12 42.07 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -109.3 137.4 47.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.573 ' HB2' ' HG3' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -145.72 146.62 31.32 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -174.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.548 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 52.5 mt -54.16 131.61 16.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.497 ' HB2' HG21 ' A' ' 86' ' ' VAL . . . -41.18 -47.39 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.12 177.64 37.4 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.36 -33.8 75.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.61 -46.86 77.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.109 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.497 HG21 ' HB2' ' A' ' 82' ' ' ALA . 25.0 t -79.25 -32.74 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.5 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 81' ' ' ILE . . . -63.66 -46.14 86.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.038 0.447 . . . . 0.0 110.195 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 88' ' ' ARG . 52.5 mtt180 -70.95 -22.78 62.17 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.019 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.09 -48.18 77.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.75 -38.43 86.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -65.33 -46.44 80.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.459 ' O ' HG21 ' A' ' 96' ' ' VAL . 8.0 tt -60.27 -47.87 84.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.967 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.48 -31.28 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.503 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 91' ' ' ALA . 92.3 t -66.05 -42.47 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.232 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 92' ' ' LEU . 73.3 t -52.91 -37.56 26.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.19 -73.3 0.4 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.238 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.96 -47.66 82.26 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -169.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 10.7 tp10 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.238 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.37 80.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.77 71.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.952 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.65 -43.84 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.92 -37.54 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.41 -45.77 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.312 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.4 -44.36 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.115 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -67.41 -30.31 48.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.068 0.461 . . . . 0.0 110.246 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 24' ' ' ASN . . . -70.55 -32.56 70.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.127 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.28 -43.3 78.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.137 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.89 -46.82 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.023 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.82 -31.6 80.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.637 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 64.1 tttp -62.52 -45.44 92.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.72 0.295 . . . . 0.0 110.757 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.33 -18.88 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.31 -32.51 29.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.617 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.25 84.37 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.655 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 19.1 t-20 -173.08 112.73 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.27 172.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.96 95.53 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.853 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -62.58 -38.45 90.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.458 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' B' ' 24' ' ' ASN . 40.9 ttm180 -78.1 -26.52 48.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.675 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 90.3 mt -62.01 -23.93 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -62.1 -32.38 72.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.056 0.455 . . . . 0.0 110.441 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.8 mt -67.03 -44.81 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.258 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.72 -36.02 82.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.896 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.73 -43.14 94.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.107 0.479 . . . . 0.0 110.211 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.76 -35.07 76.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 73.4 mt -83.55 -8.46 59.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 0.0 111.597 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -7.86 53.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.685 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -114.33 5.39 15.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.95 -162.0 27.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.26 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 137.15 36.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.768 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -136.21 144.44 44.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.56 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.0 149.23 46.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.87 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.431 HG21 ' O ' ' B' ' 77' ' ' GLN . 60.6 t -56.49 -39.21 60.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.309 0.38 . . . . 0.0 110.654 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.554 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 2.9 tm-20 -56.53 -47.82 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.472 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -38.76 81.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 40' ' ' ALA . 86.7 mt -61.14 -49.47 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.7 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.313 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.19 -22.06 63.93 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.7 p -96.97 -13.33 22.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.774 0.321 . . . . 0.0 111.228 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.94 39.28 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.044 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 68.7 mtm -118.7 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.0 110.479 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -98.55 160.33 14.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 92.7 mt -55.93 -45.33 78.78 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.23 0.331 . . . . 0.0 111.304 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -67.14 -35.9 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -65.77 -45.15 83.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 110.767 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.29 84.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.583 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -60.5 -38.42 84.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.65 85.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.935 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -68.34 -33.24 73.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' B' ' 79' ' ' TYR . 81.1 mt -66.22 -34.65 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.97 -36.22 82.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.147 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.16 93.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -36.08 82.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.927 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -65.57 -40.64 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.225 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -66.62 -30.9 71.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.439 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.91 -29.74 70.67 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.32 20.21 52.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.023 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.7 ' HB2' HG11 ' B' ' 86' ' ' VAL . 1.4 pt? -105.23 -1.78 24.92 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.81 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.53 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.975 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.493 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 42.1 mt-10 -119.19 151.09 38.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.52 137.28 46.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.418 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 11.2 mmm180 -124.4 127.3 47.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.82 109.29 20.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 104.04 11.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.29 -104.96 1.52 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 t -121.97 5.21 9.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.51 0.672 . . . . 0.0 109.547 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -95.01 145.14 25.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.166 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.431 ' O ' HG21 ' B' ' 41' ' ' VAL . 26.5 tt0 -112.0 117.83 33.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 30.2 m-85 -104.22 153.35 21.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.417 ' CD1' HD11 ' B' ' 59' ' ' LEU . 11.9 m-85 -128.26 157.85 39.78 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.306 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -158.9 172.07 18.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mm -76.45 134.38 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.493 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -69.0 -24.61 64.24 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.84 151.59 22.58 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.757 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.0 OUTLIER -61.14 -34.16 74.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.081 0.467 . . . . 0.0 110.308 178.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . 0.544 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 5.3 t0 -63.27 -32.7 74.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.566 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.7 HG11 ' HB2' ' B' ' 67' ' ' LEU . 57.5 t -69.5 -40.7 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.98 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.41 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.544 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 89.5 mtt180 -63.27 -45.25 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.578 176.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.422 ' HB2' HD22 ' A' ' 92' ' ' LEU . 44.1 tp -58.69 -50.48 73.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.22 -46.56 85.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.908 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.511 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.8 -44.95 88.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.426 ' O ' HG21 ' B' ' 96' ' ' VAL . 7.4 tt -60.02 -53.31 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.816 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.33 -31.15 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.038 0.447 . . . . 0.0 110.991 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -67.16 -41.56 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.119 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 91' ' ' ALA . 75.0 t -61.69 -47.5 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 175.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.426 HG21 ' O ' ' B' ' 92' ' ' LEU . 93.9 t -52.06 -45.94 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.815 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.4 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.63 -35.61 74.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 111.517 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.7 -53.69 31.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.234 0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.485 -175.257 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 47.4 mtt180 . . . . . 0 C--O 1.223 -0.292 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -60.1 -54.8 41.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.4 92.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.62 64.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.534 ' HA ' HE21 ' A' ' 14' ' ' GLN . 4.5 tt -72.2 -50.37 28.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' HB3' ' B' ' 28' ' ' LEU . 78.2 mt -64.79 -33.86 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.435 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.46 -53.47 57.75 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.534 HE21 ' HA ' ' A' ' 11' ' ' LEU . 28.6 pt20 -75.49 -35.7 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.797 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -70.55 -31.34 46.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.452 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -68.13 -35.71 78.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -63.83 -39.52 94.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.521 176.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' GLN . 63.5 t -61.46 -43.81 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.2 -22.0 70.52 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.885 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.1 mtpt -71.99 -46.92 55.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.923 0.392 . . . . 0.0 110.286 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.41 69.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 110.049 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.6 tp -91.7 24.4 3.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.306 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HB2' HH21 ' A' ' 27' ' ' ARG . . . -78.57 15.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 110.323 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.672 ' CG ' ' HA ' ' B' ' 16' ' ' ALA . 27.4 m-80 70.88 -170.83 0.16 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.304 169.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.61 -157.3 15.03 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 26' ' ' ARG . 5.2 ptp180 -64.7 -22.74 67.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.967 0.413 . . . . 0.0 110.964 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.538 HH21 ' HB2' ' A' ' 23' ' ' ALA . 16.9 ptt180 -72.83 -10.21 59.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.46 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD11 ' OD1' ' A' ' 24' ' ' ASN . 30.3 mt -73.12 -30.07 63.35 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.307 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.58 -26.54 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.857 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.99 -49.79 41.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.952 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.64 -40.78 93.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.905 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.83 -40.43 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.807 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 tp -70.62 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.489 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.86 -31.25 70.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.64 -21.3 66.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.5 . . . . 0.0 110.595 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -95.96 -0.48 50.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.706 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.67 137.76 3.37 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.264 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.19 141.4 45.49 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -154.75 172.43 17.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 -171.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -76.37 163.21 27.21 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.317 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -59.67 -40.98 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.405 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.53 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 mp0 -57.45 -45.47 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.786 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.75 95.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.313 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.24 -48.47 88.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.002 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.8 87.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.326 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -67.49 -50.88 56.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.89 72.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -84.3 -25.46 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.485 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.67 16.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.952 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -125.32 175.74 7.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.133 0.492 . . . . 0.0 111.278 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -75.93 154.06 36.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.606 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 73.1 mt -54.95 -50.57 68.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -64.93 -32.45 74.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.686 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.5 m -65.69 -47.05 76.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.238 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.67 98.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.588 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 39.4 m -59.94 -42.17 93.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -64.48 -37.43 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.051 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 56' ' ' SER . 31.8 mm-40 -63.39 -42.62 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.367 . . . . 0.0 110.093 177.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.44 86.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.246 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.52 ' HB3' HG22 ' A' ' 68' ' ' VAL . 6.0 mp -56.09 -43.94 78.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -70.56 -36.26 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -25.94 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.29 -15.67 68.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.524 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.73 49.92 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.687 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.38 -38.8 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.297 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 62' ' ' LEU . 22.2 m -134.04 162.64 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 111.598 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -124.76 166.09 16.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.49 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.03 150.03 48.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 111.702 -173.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 71' ' ' ARG . 63.6 mtm-85 -129.84 115.4 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.513 174.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -79.09 96.76 5.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 172.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.32 88.09 2.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.509 0.671 . . . . 0.0 110.382 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.62 -121.98 10.17 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.135 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -91.84 -5.73 52.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.618 0.247 . . . . 0.0 111.167 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.28 147.9 47.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.103 0.477 . . . . 0.0 110.842 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -114.94 124.36 51.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.653 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.1 m-85 -99.27 140.32 33.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.188 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -120.13 137.6 54.06 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.961 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -133.51 159.44 40.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.726 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.43 142.55 16.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 86' ' ' VAL . . . -55.87 -24.45 37.09 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -176.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 170.0 -172.3 43.77 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.201 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -70.82 -24.25 62.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.073 0.464 . . . . 0.0 110.091 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -65.34 -50.25 66.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.462 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.454 HG21 ' HB1' ' A' ' 82' ' ' ALA . 59.5 t -70.75 -37.6 69.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.659 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.38 86.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 111.02 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -78.03 -14.21 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.941 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.32 -47.23 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.35 -35.68 80.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.126 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.63 -37.68 85.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.9 tt -61.32 -52.59 64.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.08 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.35 -25.02 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.596 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.85 -42.6 85.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.028 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 91' ' ' ALA . 84.3 t -64.44 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.894 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 92' ' ' LEU . 98.9 t -53.63 -39.75 39.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.408 176.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.772 ' HA ' HE21 ' B' ' 14' ' ' GLN . . . -73.81 -60.56 2.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.98 -46.67 75.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -172.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.669 0.271 . . . . 0.0 110.797 -176.409 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.89 93.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.553 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.64 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.832 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.92 -46.2 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.515 ' HA ' HG23 ' B' ' 15' ' ' VAL . 72.0 mt -70.61 -21.73 62.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.997 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.3 t70 -81.05 -38.51 27.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.55 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.772 HE21 ' HA ' ' A' ' 97' ' ' ALA . 28.8 tt0 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' B' ' 12' ' ' LEU . 34.0 m -66.44 -25.6 35.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.145 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.672 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -57.6 -47.08 83.15 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.313 175.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -60.67 -44.36 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.22 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.13 -56.41 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.698 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.5 ' HA3' HD22 ' A' ' 24' ' ' ASN . . . -62.35 -43.61 98.83 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.409 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -64.68 -26.66 68.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.889 0.376 . . . . 0.0 110.699 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.99 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.54 0.209 . . . . 0.0 110.442 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.43 HD22 HD21 ' B' ' 67' ' ' LEU . 99.1 mt -68.46 -34.29 75.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.61 50.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.629 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.511 ' OD1' ' HB2' ' B' ' 27' ' ' ARG . 10.9 p30 -97.83 -32.47 11.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.983 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.77 -99.88 2.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.709 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.38 -10.87 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -172.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.511 ' HB2' ' OD1' ' B' ' 24' ' ' ASN . 91.7 mtt180 -81.59 -10.9 59.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.303 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.447 ' HB3' HD23 ' A' ' 12' ' ' LEU . 94.6 mt -67.65 -18.57 65.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.278 177.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -62.9 -29.12 70.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.144 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.52 -48.86 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.904 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.712 HD13 HD22 ' B' ' 67' ' ' LEU . 90.0 mt -61.32 -37.48 83.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.6 -48.07 83.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.623 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.06 -42.14 89.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.626 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.3 mm? -66.61 -30.34 70.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.776 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.07 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 110.501 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -97.68 -19.33 18.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.723 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.88 153.82 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.619 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -78.47 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.72 0.295 . . . . 0.0 110.338 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.619 ' HD2' ' O ' ' B' ' 38' ' ' GLU . 2.4 mpt_? -138.62 163.69 31.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.368 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.48 164.81 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -46.59 -45.67 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.506 ' HG2' HD23 ' B' ' 52' ' ' LEU . 47.3 mt-10 -59.46 -51.9 67.91 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.57 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.213 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.494 HG21 HD23 ' B' ' 59' ' ' LEU . 74.3 mt -60.64 -47.39 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.497 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.52 94.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.249 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.9 m -64.97 -48.8 72.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.216 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.02 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.74 -10.79 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 35.85 21.8 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.784 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.417 ' HB2' ' HB ' ' B' ' 54' ' ' THR . 24.1 ptp -130.78 -178.47 4.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -100.86 164.67 11.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.506 HD23 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -55.78 -41.06 73.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.259 . . . . 0.0 110.912 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.3 p -61.25 -46.49 90.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.34 0.59 . . . . 0.0 110.744 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.417 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 2.9 m -62.19 -49.03 77.4 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.405 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.205 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.5 t -53.97 -48.24 70.53 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.33 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.341 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -65.82 -44.23 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.494 HD23 HG21 ' B' ' 44' ' ' ILE . 82.5 mt -59.6 -49.07 79.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.531 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.33 -26.64 67.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 111.059 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -60.01 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.446 ' HG ' HG21 ' B' ' 68' ' ' VAL . 2.2 pt? -76.84 -12.3 59.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.221 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -68.52 -37.72 80.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.9 m -71.12 -30.65 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.242 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.58 -15.66 68.77 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.985 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.71 17.09 50.04 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.535 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.712 HD22 HD13 ' B' ' 31' ' ' LEU . 7.2 mp -86.97 -48.01 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.81 0.338 . . . . 0.0 111.328 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.446 HG21 ' HG ' ' B' ' 62' ' ' LEU . 31.0 m -116.84 159.74 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.224 0.535 . . . . 0.0 111.42 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.599 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -128.13 155.43 44.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.65 139.89 52.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.919 0.39 . . . . 0.0 111.801 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.533 ' HD3' ' NH1' ' B' ' 80' ' ' ARG . 28.7 mtp85 -136.13 130.98 34.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.06 174.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -86.23 105.66 16.77 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.464 ' HB2' ' CD2' ' B' ' 78' ' ' TYR . 51.9 mt-10 -120.23 128.82 53.71 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.39 -108.34 2.49 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -126.94 8.15 6.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.101 0.477 . . . . 0.0 111.07 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -132.21 156.37 46.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 111.303 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -97.01 120.3 37.1 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.471 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.464 ' CD2' ' HB2' ' B' ' 73' ' ' GLU . 72.2 m-85 -95.42 141.07 29.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.319 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.434 ' O ' HD13 ' B' ' 34' ' ' LEU . 27.7 m-85 -114.28 136.45 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.001 174.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.533 ' NH1' ' HD3' ' B' ' 71' ' ' ARG . 9.1 ptp85 -143.07 177.01 8.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.211 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' B' ' 87' ' ' ALA . 48.5 mm -67.78 135.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.599 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -58.23 -48.85 79.09 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.27 168.16 32.5 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.486 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -36.15 81.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.157 0.503 . . . . 0.0 110.76 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' B' ' 67' ' ' LEU . 42.4 t -65.82 -40.28 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.424 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' B' ' 81' ' ' ILE . . . -62.54 -44.72 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -70.17 -22.78 62.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.458 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.441 HD21 HD22 ' A' ' 92' ' ' LEU . 3.1 tm? -68.18 -49.84 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -65.07 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.289 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.93 -43.58 82.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.442 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -47.26 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.096 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.529 ' HA ' HG11 ' B' ' 96' ' ' VAL . 22.5 m -65.77 -28.93 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.51 -48.82 59.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.15 0.5 . . . . 0.0 109.987 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.7 t -63.5 -48.25 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.392 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' B' ' 93' ' ' VAL . 12.5 p -62.11 -37.28 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.35 -52.27 59.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 110.492 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.42 -35.16 79.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.043 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.09 -46.61 83.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.318 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 . . . . . 0 C--N 1.332 -0.162 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -178.583 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 7' ' ' ARG . 24.1 ttt180 . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.838 0.351 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HZ1' ' CG ' ' B' ' 32' ' ' ASP . 34.3 ttmt -63.17 -30.76 71.85 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.616 175.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.05 70.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -34.65 76.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.167 0.508 . . . . 0.0 110.119 177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.66 -43.0 81.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.61 ' HA ' HG21 ' A' ' 15' ' ' VAL . 76.3 mt -63.71 -27.36 69.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.802 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.84 -51.02 62.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.141 0.496 . . . . 0.0 110.91 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.26 -31.11 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.964 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG21 ' HA ' ' A' ' 12' ' ' LEU . 29.9 m -71.43 -28.14 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.912 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.8 -35.7 80.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.052 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.86 -43.26 94.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.179 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -59.53 -44.5 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.878 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.73 -37.15 93.79 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.333 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 66.1 mttm -63.38 -30.29 71.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.626 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.77 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' B' ' 16' ' ' ALA . 70.3 mt -97.27 13.26 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.95 -6.49 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.639 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.3 p30 -136.87 138.86 41.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 28' ' ' LEU . . . -83.82 -22.8 54.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.793 -172.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -74.71 -23.62 58.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.396 0.598 . . . . 0.0 112.38 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -85.39 -22.41 28.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.069 0.461 . . . . 0.0 109.995 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 80.5 mt -68.87 -20.81 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.037 176.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -56.3 -35.19 67.25 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.226 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.87 -42.37 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.413 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.72 -44.3 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.31 -34.98 77.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.407 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 tt -76.28 -39.2 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.813 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.12 -5.35 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.355 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.31 -11.35 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.022 0.439 . . . . 0.0 110.696 173.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -81.58 -21.25 38.54 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.32 -119.69 1.55 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.192 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -115.37 144.17 44.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.119 0.485 . . . . 0.0 111.653 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 3.4 mmt180 -145.75 148.31 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.755 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.75 154.33 30.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.568 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.75 -36.31 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.34 -49.67 75.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.154 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.69 -46.33 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.34 -47.93 80.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.93 87.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.044 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 m -62.71 -42.54 99.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.421 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.64 66.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.951 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 p -97.22 -3.06 41.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.824 0.345 . . . . 0.0 111.482 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.35 62.64 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.551 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -124.27 176.31 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -91.92 163.94 13.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD21 ' HG2' ' A' ' 42' ' ' GLU . 11.1 mp -61.54 -39.2 90.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.813 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -62.61 -46.61 87.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.3 m -61.17 -47.41 86.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.567 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.71 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.164 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.72 -35.96 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.968 -177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.81 87.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.124 0.488 . . . . 0.0 110.551 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -66.44 -41.39 89.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.325 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 ' CD1' ' A' ' 79' ' ' TYR . 85.6 mt -63.49 -35.95 82.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.035 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.22 -38.93 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.44 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.78 -32.99 74.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -68.53 -41.78 79.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.41 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 t -68.6 -32.6 72.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.74 -16.96 79.09 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.267 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.13 28.03 19.07 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.254 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.502 ' HA ' HG11 ' A' ' 86' ' ' VAL . 3.2 mm? -92.38 -53.26 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.494 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.55 158.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 112.029 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.95 172.9 6.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.408 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.6 132.85 44.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.045 0.45 . . . . 0.0 111.53 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -122.8 128.56 50.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.101 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -88.56 101.71 14.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.103 0.478 . . . . 0.0 110.071 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 1.1 tm-20 -107.15 113.86 27.55 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.02 -103.69 1.35 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.617 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -118.29 -16.8 9.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.088 0.471 . . . . 0.0 110.824 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -104.99 153.57 21.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.57 0.7 . . . . 0.0 112.033 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.4 117.54 31.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.203 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 74.6 m-85 -95.92 133.63 39.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.019 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.492 ' CD1' HD11 ' A' ' 59' ' ' LEU . 23.5 m-85 -108.57 139.74 42.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.28 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.61 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 48.6 ttp180 -147.97 145.82 28.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.422 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.8 mt -61.73 129.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 -9.86 58.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -169.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.31 149.63 13.16 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.839 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.58 -29.94 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.877 0.338 . . . . 0.0 110.145 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.09 -43.86 67.13 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 173.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 67' ' ' LEU . 60.8 t -65.25 -44.19 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.485 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.01 96.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.1 mtp180 -64.71 -34.97 79.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.002 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.79 -46.71 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.44 -38.84 85.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' O ' HG22 ' A' ' 95' ' ' VAL . . . -67.85 -42.16 81.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.46 -52.73 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.506 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.12 -33.01 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.045 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.79 -43.24 80.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.853 0.359 . . . . 0.0 110.474 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 91' ' ' ALA . 99.0 t -68.49 -48.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.366 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.6 t -59.24 -39.04 77.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.1 77.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.658 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.36 66.4 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.792 -175.04 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.003 0.43 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.671 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -30.85 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.555 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.46 -36.14 78.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.055 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.23 -30.77 69.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.612 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -77.74 -32.21 52.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.155 0.503 . . . . 0.0 110.025 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -63.99 -47.94 78.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.52 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.24 -25.87 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.434 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -65.81 -33.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -68.19 -36.85 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.976 0.417 . . . . 0.0 110.155 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.418 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 54.1 t -64.83 -49.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.036 175.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.52 -37.9 94.93 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.183 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -59.43 -38.19 80.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.057 0.456 . . . . 0.0 110.589 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.487 ' HB3' ' NH2' ' B' ' 27' ' ' ARG . . . -71.78 -27.86 63.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.518 ' HA ' HD22 ' B' ' 28' ' ' LEU . 79.0 mt -83.95 -17.44 40.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.76 -3.44 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -174.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.441 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 26.9 t-20 -87.06 -38.73 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 110.859 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 16' ' ' ALA . . . 81.94 -59.57 4.86 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.551 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.27 -42.93 99.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.84 0.352 . . . . 0.0 111.407 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.729 HH21 HD22 ' B' ' 62' ' ' LEU . 12.0 ptm180 -68.59 -11.16 59.64 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.881 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' B' ' 22' ' ' LEU . 55.7 mt -78.58 -16.36 57.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 -177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.53 -32.92 72.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.412 HG22 HD22 ' B' ' 34' ' ' LEU . 57.3 mt -66.26 -34.15 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.35 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.72 -37.18 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.293 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.412 ' CG ' ' HZ1' ' A' ' 8' ' ' LYS . 17.9 t70 -62.67 -35.57 80.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.298 0.571 . . . . 0.0 110.471 176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.454 ' HA ' ' NE2' ' B' ' 36' ' ' GLN . 51.0 tp -75.82 -29.06 58.53 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.719 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.5 mm? -82.4 -17.15 46.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.572 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.5 -0.51 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.424 0.63 . . . . 0.0 110.094 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' B' ' 33' ' ' LEU . 51.8 mt-30 -104.69 -1.53 26.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.222 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.78 -178.43 17.24 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.6 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.14 135.73 46.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -125.38 138.38 54.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.421 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -81.51 155.83 25.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.714 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 77' ' ' GLN . 72.5 t -52.8 -55.13 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 O-C-N 123.331 0.394 . . . . 0.0 111.851 -178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -63.31 -35.91 81.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.312 . . . . 0.0 110.809 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.42 83.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 40' ' ' ALA . 87.6 mt -60.6 -46.26 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -54.09 44.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.158 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 m -66.34 -40.92 90.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.26 -28.17 67.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.479 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 31.9 p -100.37 -6.33 25.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.016 0.436 . . . . 0.0 111.158 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.31 35.87 56.16 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.425 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.479 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 23.4 ptp -122.18 169.6 10.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -86.9 162.12 17.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.34 -44.57 80.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.033 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.1 m -58.34 -40.83 83.23 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.1 m -67.44 -52.15 43.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.718 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.45 98.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.266 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -60.7 -42.05 96.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.839 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.78 85.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 110.768 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.438 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.2 m-20 -64.35 -43.08 95.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.412 HD11 HD13 ' B' ' 44' ' ' ILE . 95.9 mt -64.17 -42.05 96.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.423 . . . . 0.0 110.204 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.39 87.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.886 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.729 HD22 HH21 ' B' ' 27' ' ' ARG . 97.2 mt -64.06 -38.99 93.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.004 0.431 . . . . 0.0 110.74 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.31 -35.31 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -72.6 -29.89 63.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.34 -20.35 79.87 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.657 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.64 29.27 9.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.984 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.36 -35.19 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.834 0.317 . . . . 0.0 111.798 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 m -130.04 156.84 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 0.0 112.342 -173.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -119.44 176.98 5.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.332 173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.97 148.89 31.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.438 0.637 . . . . 0.0 112.654 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.559 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 13.8 mmm180 -124.23 96.25 4.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.965 173.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -86.86 133.37 33.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' HE1' ' B' ' 78' ' ' TYR . 37.9 tt0 -133.3 96.74 3.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.077 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.94 -116.46 9.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.751 -174.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.1 p -95.34 3.63 54.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 110.414 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.74 143.79 26.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.278 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.415 ' O ' HG23 ' B' ' 41' ' ' VAL . 53.4 mt-30 -124.61 103.85 8.37 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.052 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 23.1 m-85 -90.42 157.28 17.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -121.82 162.17 21.4 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.559 ' HD2' ' HG2' ' B' ' 71' ' ' ARG . 15.8 ptm180 -153.88 155.62 36.05 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.42 134.26 29.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.71 -41.78 64.23 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -173.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.69 167.96 33.73 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.243 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.6 -40.82 96.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.79 -27.66 64.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.117 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.41 -37.13 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.286 0.565 . . . . 0.0 109.556 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.75 77.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.199 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 88' ' ' ARG . 45.2 mtp180 -59.84 -36.43 76.8 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.506 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.576 ' O ' HG21 ' B' ' 93' ' ' VAL . 8.1 tt -59.44 -56.52 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.914 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . 0.41 ' HE1' ' HB3' ' B' ' 28' ' ' LEU . 90.4 t80 -58.66 -40.43 83.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.486 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -59.63 -52.08 67.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.576 HG21 ' O ' ' B' ' 89' ' ' LEU . 77.1 t -57.56 -53.64 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.293 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -75.46 -22.31 57.38 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.734 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.486 HG21 ' O ' ' B' ' 91' ' ' ALA . 35.7 t -68.68 -46.22 80.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.409 0.147 . . . . 0.0 110.948 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.27 -25.8 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.505 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.0 -66.87 0.74 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.4 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.51 -43.31 90.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.76 -24.06 62.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 . . . . . 0 C--O 1.236 0.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.73 178.628 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.788 0.328 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 11' ' ' LEU . 62.6 tttm -74.77 -25.17 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.368 0.604 . . . . 0.0 109.654 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.24 -16.11 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.46 63.62 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.024 0.44 . . . . 0.0 110.369 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 8' ' ' LYS . 2.3 mm? -77.42 -33.11 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 15' ' ' VAL . 89.4 mt -70.64 -34.47 72.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.879 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.03 -37.47 87.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.858 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -67.4 -49.16 65.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.966 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 12' ' ' LEU . 27.5 m -68.28 -24.94 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.678 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -35.47 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -64.93 -40.69 95.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.024 0.44 . . . . 0.0 109.954 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.32 -48.29 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.347 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.95 -35.58 92.26 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.273 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.79 -39.62 85.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.727 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.009 0.433 . . . . 0.0 110.816 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 28' ' ' LEU . 96.8 mt -69.18 -34.46 74.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.7 16.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -83.72 -28.76 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.81 -83.67 1.58 Allowed Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.018 -0.611 . . . . 0.0 113.63 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -68.43 -20.13 64.63 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -170.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 60.7 mtt85 -83.32 -8.67 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.749 0.309 . . . . 0.0 111.639 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 22' ' ' LEU . 93.9 mt -70.17 -15.98 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.458 178.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -59.05 -35.37 73.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.381 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.2 -45.12 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.557 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.21 -38.18 85.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.108 0.48 . . . . 0.0 110.5 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.85 -34.14 76.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.462 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 54.0 tp -79.93 -23.94 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.463 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 79' ' ' TYR . 3.4 mm? -82.92 -11.75 57.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -25.39 66.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.746 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.8 pt20 -93.2 -2.88 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.13 -175.43 20.65 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.197 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.83 140.97 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 137.78 51.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.059 -174.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -73.53 152.91 40.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.24 -44.12 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 1.3 mp0 -61.07 -41.82 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.323 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.16 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.778 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 HD13 HD23 ' A' ' 59' ' ' LEU . 79.2 mt -59.67 -48.57 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 177.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.07 67.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.822 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.0 m -57.61 -47.41 82.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.38 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.72 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.3 p -86.68 -5.22 59.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.689 0.28 . . . . 0.0 111.626 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 29.35 57.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.324 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.527 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 61.4 mtt -108.45 164.48 12.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -81.15 161.81 23.91 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -59.49 -38.85 81.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.756 0.313 . . . . 0.0 110.444 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -60.46 -45.24 94.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.578 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 1.0 OUTLIER -62.87 -53.83 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.713 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.2 -41.85 89.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.483 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 29.3 t -59.28 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.804 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 110.866 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.45 -38.86 74.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.547 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 44' ' ' ILE . 97.3 mt -66.24 -39.76 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.734 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 56' ' ' SER . 96.3 mt-30 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.473 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.48 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.4 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.89 -33.55 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.446 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.2 -35.38 68.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.02 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 t -70.37 -18.84 63.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.368 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.51 -24.73 41.81 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.628 171.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.26 11.29 42.62 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.713 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.37 -37.51 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.83 160.81 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 112.187 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.565 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 50.0 mt-10 -122.27 167.29 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.859 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.73 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.763 0.316 . . . . 0.0 111.321 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -142.98 135.44 27.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.406 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -92.71 141.9 27.95 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.018 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -140.07 132.53 28.55 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.91 -111.41 4.14 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -118.17 -5.14 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.891 0.377 . . . . 0.0 110.373 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -94.56 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.973 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.96 111.61 23.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.525 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.1 m-85 -97.61 141.34 30.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' CD1' HD11 ' A' ' 59' ' ' LEU . 21.6 m-85 -110.52 143.49 40.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.561 173.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -141.35 160.4 40.21 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.122 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.76 138.98 22.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.701 ' HB2' HG23 ' A' ' 86' ' ' VAL . . . -51.83 -43.22 63.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.5 173.73 41.23 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.468 -0.873 . . . . 0.0 111.821 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG3' ' CD ' ' A' ' 88' ' ' ARG . 6.6 tp10 -62.28 -39.08 91.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.013 0.435 . . . . 0.0 109.883 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.3 -36.25 75.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' A' ' 82' ' ' ALA . 46.5 t -73.53 -38.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.237 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.39 89.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.23 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' CD ' ' HG3' ' A' ' 84' ' ' GLU . 36.2 mtp180 -68.23 -27.34 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.193 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.39 -51.24 66.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.16 -38.16 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.34 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -65.46 -47.56 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.193 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.55 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.402 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.444 ' HB ' HD13 ' B' ' 89' ' ' LEU . 14.9 p -64.51 -32.23 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.731 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.441 ' HG3' HD21 ' B' ' 11' ' ' LEU . 9.8 tt0 -68.76 -41.78 78.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.225 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 89.4 t -61.76 -52.15 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.901 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.82 -43.34 67.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 121.032 0.444 . . . . 0.0 110.596 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.53 -54.37 40.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.794 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.49 -38.48 69.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.949 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 95' ' ' VAL . 44.9 mt-10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 121.203 0.525 . . . . 0.0 111.144 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.73 -40.93 66.54 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.421 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.5 98.72 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 111.011 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 94' ' ' GLN . 39.2 tp -71.89 -41.12 68.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.847 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.39 -34.03 77.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.657 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.86 -48.53 81.04 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.681 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.515 ' O ' HG22 ' B' ' 18' ' ' VAL . 22.6 tp60 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.644 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.77 -47.6 87.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.542 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.13 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -62.91 -39.85 95.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.515 HG22 ' O ' ' B' ' 14' ' ' GLN . 60.8 t -64.83 -47.01 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.957 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.81 -33.69 87.67 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.348 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -63.28 -37.16 86.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.76 64.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.989 0.423 . . . . 0.0 110.618 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.559 ' HA ' HD23 ' B' ' 28' ' ' LEU . 92.1 mt -80.42 -26.66 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 78.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.481 0.658 . . . . 0.0 111.798 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -162.31 -52.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.942 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.86 -72.02 0.21 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.842 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -83.31 -12.33 56.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.435 -0.45 . . . . 0.0 111.959 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.09 -22.24 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.264 0.554 . . . . 0.0 109.609 169.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' B' ' 22' ' ' LEU . 42.3 mt -80.74 -9.06 59.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.649 -177.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.3 -30.6 66.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.135 0.493 . . . . 0.0 109.687 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.525 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.0 mt -65.42 -47.5 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.288 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.451 HD12 HD22 ' B' ' 28' ' ' LEU . 87.4 mt -60.41 -43.19 96.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.022 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.45 -42.58 98.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.187 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.14 -43.21 99.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.697 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 75.8 mt -72.94 -18.97 61.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.56 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.22 0.533 . . . . 0.0 109.808 173.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -77.55 -45.6 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.11 151.11 15.89 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.323 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.503 ' CB ' ' HB3' ' B' ' 80' ' ' ARG . 4.8 pt-20 -76.04 133.34 40.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -146.72 159.19 43.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.63 0.252 . . . . 0.0 110.677 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -82.14 169.58 16.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.923 0.392 . . . . 0.0 111.701 -176.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.13 -44.91 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.541 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.88 -47.75 83.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.641 0.258 . . . . 0.0 110.798 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.89 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.98 -49.59 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.69 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.142 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.22 -43.64 98.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.83 69.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.868 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -93.66 -7.95 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 35.61 25.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.838 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.0 ptp -131.83 170.7 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -91.04 170.72 9.8 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.576 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.34 -42.01 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.156 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -65.37 -41.66 93.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.013 0.435 . . . . 0.0 110.678 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.383 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.322 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m -58.16 -36.9 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.1 77.79 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.812 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.05 -43.48 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' B' ' 79' ' ' TYR . 90.2 mt -60.08 -39.85 87.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.183 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.59 -40.44 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.428 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.87 97.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.819 0.342 . . . . 0.0 110.739 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 98.9 mt -66.13 -39.12 89.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 68' ' ' VAL . 75.6 tttt -67.72 -38.08 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.302 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.9 m -66.24 -27.43 67.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.553 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.404 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -76.0 -26.62 64.05 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.499 174.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.95 20.71 10.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.41 ' HA ' HG11 ' B' ' 86' ' ' VAL . 3.5 mm? -89.78 -49.27 6.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.736 0.303 . . . . 0.0 111.471 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 29.6 m -115.79 162.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 112.031 -174.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -124.6 152.62 43.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.915 176.676 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.69 114.37 28.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.207 0.527 . . . . 0.0 111.297 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.597 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 19.4 mmm180 -103.95 94.91 5.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.543 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -78.69 122.72 26.34 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -135.32 128.37 31.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.4 -115.32 6.97 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.47 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -116.28 -6.17 11.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . 0.599 ' HG3' HH11 ' B' ' 76' ' ' ARG . 8.9 ptt85 -117.53 149.05 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -98.72 131.8 44.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.218 0.532 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.609 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 80.4 m-85 -89.08 129.99 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.026 170.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.529 ' CD1' HD12 ' B' ' 59' ' ' LEU . 27.0 m-85 -108.45 136.57 47.85 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.317 0.58 . . . . 0.0 110.534 177.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.503 ' HB3' ' CB ' ' B' ' 38' ' ' GLU . 15.8 ptm180 -148.07 168.67 21.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 56.9 mt -68.02 134.08 30.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -55.02 -42.67 72.88 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.995 -173.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.21 169.78 30.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.019 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -71.47 -29.33 64.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.161 0.505 . . . . 0.0 109.724 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.394 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' B' ' 67' ' ' LEU . 45.9 t -65.57 -38.96 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.61 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.05 87.79 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.17 0.509 . . . . 0.0 110.456 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.3 -34.65 78.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.931 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.444 HD13 ' HB ' ' A' ' 93' ' ' VAL . 7.3 tt -61.4 -49.27 77.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.088 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -64.75 -43.39 93.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.646 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.493 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -61.23 -46.95 88.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 63.1 tp -54.3 -53.11 58.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.655 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.447 HG23 HG11 ' A' ' 15' ' ' VAL . 13.8 p -64.45 -35.07 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.182 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -72.11 -40.53 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.493 HG21 ' O ' ' B' ' 91' ' ' ALA . 53.3 t -61.6 -50.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.08 -31.09 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.677 0.275 . . . . 0.0 111.048 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.28 -56.02 11.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.385 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 9.6 t70 -57.92 -34.7 70.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.267 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.74 -51.03 71.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.721 0.296 . . . . 0.0 111.364 -173.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 . . . . . 0 CA--C 1.523 -0.086 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -61.71 -48.78 79.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.727 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.33 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.113 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.27 86.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' O ' HG22 ' A' ' 15' ' ' VAL . 88.0 mt -66.71 -38.71 87.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.167 0.508 . . . . 0.0 109.918 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.21 -28.37 70.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.682 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.09 -33.39 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.234 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -67.23 -40.6 86.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.703 HG12 HD21 ' B' ' 22' ' ' LEU . 87.6 t -61.96 -42.28 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.276 174.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.774 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -57.37 -54.85 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.79 -29.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' B' ' 22' ' ' LEU . . . -68.03 -41.57 87.03 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.268 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 64.7 mtpt -69.15 -32.39 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.636 0.255 . . . . 0.0 111.145 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.21 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.377 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 28' ' ' LEU . 8.6 tt -87.49 -14.16 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.281 0.563 . . . . 0.0 110.476 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.41 -6.36 53.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.532 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.23 92.65 8.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 178.343 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.461 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -60.75 -30.54 72.88 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.542 -0.754 . . . . 0.0 113.209 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -73.26 -22.38 60.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.92 0.391 . . . . 0.0 110.506 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -94.3 -15.8 24.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 90.7 mt -69.83 -24.5 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.84 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.525 ' OE1' HG22 ' A' ' 48' ' ' THR . 22.6 tm0? -61.57 -33.28 73.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.799 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.405 HG22 HD21 ' A' ' 59' ' ' LEU . 57.2 mt -69.42 -39.29 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.207 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 67' ' ' LEU . 77.8 mt -60.98 -44.93 96.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.558 176.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.23 -39.35 82.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.403 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.9 tp -68.11 -37.66 81.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.406 HD21 HD11 ' A' ' 44' ' ' ILE . 84.9 mt -77.41 -24.91 50.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.74 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 110.152 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.59 0.91 54.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.782 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.56 148.84 4.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.41 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.27 140.88 50.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.534 ' HG2' ' HB2' ' A' ' 43' ' ' ALA . 5.5 ttm180 -146.99 150.02 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.535 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -81.74 157.04 24.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 77' ' ' GLN . 98.4 t -53.02 -45.53 52.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 O-C-N 123.427 0.454 . . . . 0.0 111.988 -177.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.64 -43.49 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.171 0.51 . . . . 0.0 110.578 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . . . -69.86 -36.01 75.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.535 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 40' ' ' ALA . 85.3 mt -64.74 -50.25 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.124 175.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.22 76.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.508 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.9 m -63.9 -49.84 71.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.18 72.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.72 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.525 HG22 ' OE1' ' A' ' 29' ' ' GLN . 40.5 p -83.31 -14.31 53.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.963 0.411 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.84 31.96 51.62 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.149 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 57.4 mtt -116.47 -178.82 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.412 . . . . 0.0 110.239 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -94.5 161.6 14.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.94 -50.52 72.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.632 0.253 . . . . 0.0 111.188 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -59.47 -42.41 91.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.702 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -59.13 -53.61 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.82 85.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.823 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.23 -35.87 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.7 -42.98 81.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -69.36 -39.16 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.429 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 ' CD1' ' A' ' 79' ' ' TYR . 68.4 mt -65.17 -41.0 95.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.82 -39.56 81.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.97 91.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.759 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.28 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.13 0.49 . . . . 0.0 110.237 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.55 -46.71 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.317 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 p -66.01 -29.64 70.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.223 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.83 -35.09 84.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.469 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.35 16.27 10.51 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.415 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.554 ' HA ' HG12 ' A' ' 86' ' ' VAL . 8.1 mp -88.81 -47.27 8.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 111.757 -177.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.91 157.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.462 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.86 157.41 28.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.987 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.31 114.98 26.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.824 0.345 . . . . 0.0 111.253 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.86 104.88 15.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -88.27 116.85 26.77 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -111.77 94.05 4.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.556 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.72 3.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.558 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.5 p -104.21 -4.93 22.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 111.222 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -103.0 137.74 40.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.959 0.409 . . . . 0.0 110.523 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 41' ' ' VAL . 43.9 tt0 -107.43 113.13 26.29 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.644 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 50.3 m-85 -97.32 147.81 23.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.32 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.504 ' CD1' HD13 ' A' ' 59' ' ' LEU . 19.1 m-85 -122.91 143.2 50.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.289 0.566 . . . . 0.0 111.262 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 80' ' ' ARG . 26.0 ttt85 -150.26 156.82 42.27 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.823 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.484 HG21 ' HB1' ' A' ' 87' ' ' ALA . 55.2 mt -60.82 129.36 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.81 74.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.494 -171.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.3 154.14 25.59 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.168 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.4 -34.17 77.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.3 -40.8 98.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.58 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 67' ' ' LEU . 57.5 t -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.175 0.512 . . . . 0.0 110.326 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 81' ' ' ILE . . . -62.48 -46.0 90.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.92 -24.07 62.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.438 ' O ' HG21 ' A' ' 93' ' ' VAL . 6.1 tt -64.66 -55.01 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.83 -38.21 84.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.435 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.49 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.405 ' O ' HG21 ' A' ' 96' ' ' VAL . 10.5 tt -60.84 -44.15 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 89' ' ' LEU . 73.1 t -58.61 -40.61 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.606 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 34.3 tt0 -62.16 -45.35 93.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.77 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 92' ' ' LEU . 92.7 t -58.45 -39.49 75.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.57 74.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.1 -40.41 85.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.598 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.609 178.409 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.629 0.252 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.54 77.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.889 0.376 . . . . 0.0 110.438 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.26 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.747 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.65 -43.12 94.66 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.013 0.435 . . . . 0.0 110.624 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.18 -32.85 72.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.041 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.6 -36.37 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -64.27 -46.22 84.66 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.163 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 28' ' ' LEU . 34.3 m -67.68 -31.03 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.34 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -64.82 -38.37 90.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.13 -47.81 83.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.984 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.47 89.95 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.405 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -68.72 -31.04 69.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.497 ' HB1' ' HA3' ' B' ' 65' ' ' GLY . . . -69.33 -31.95 70.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.217 0.532 . . . . 0.0 110.146 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.703 HD21 HG12 ' A' ' 15' ' ' VAL . 10.1 tt -76.07 -35.84 59.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.618 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.489 ' HB1' ' HG2' ' A' ' 20' ' ' LYS . . . -77.52 76.45 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.863 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.411 ' HB3' ' HD2' ' B' ' 27' ' ' ARG . 36.4 m-80 -133.19 -45.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.05 -107.29 1.37 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.46 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -65.03 -21.04 66.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.764 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD2' ' HB3' ' B' ' 24' ' ' ASN . 100.0 mtt180 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.71 -24.6 62.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 0.0 110.519 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -68.15 -24.53 65.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.154 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -72.89 -37.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.143 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.423 HD11 HD23 ' B' ' 67' ' ' LEU . 84.2 mt -61.53 -41.6 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.462 . . . . 0.0 109.772 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.4 -41.94 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.584 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.429 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 16.0 tp -67.61 -35.89 79.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.557 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -80.53 -19.95 44.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.964 0.411 . . . . 0.0 111.124 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.85 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.334 0.588 . . . . 0.0 109.959 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.647 ' HB2' HH21 ' B' ' 39' ' ' ARG . 51.2 mt-30 -77.8 -21.13 52.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.09 168.29 22.75 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.792 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -77.43 125.2 28.95 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.647 HH21 ' HB2' ' B' ' 36' ' ' GLN . 48.4 mtt-85 -132.24 149.0 52.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -173.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -80.99 160.29 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.09 -44.17 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.722 0.296 . . . . 0.0 111.231 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.471 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.9 mm-40 -59.3 -38.51 80.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.45 -48.24 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.406 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 40' ' ' ALA . 77.7 mt -57.95 -50.08 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.017 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.46 89.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.308 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 33.2 m -65.35 -43.91 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.38 72.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.813 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -96.15 -9.22 31.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.688 0.28 . . . . 0.0 111.614 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.8 35.3 62.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.169 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.9 mtm -121.96 169.45 10.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -88.42 155.85 19.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.752 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 42' ' ' GLU . 92.9 mt -54.35 -47.88 72.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.605 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.2 p -59.2 -49.66 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.273 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.5 m -56.55 -46.52 80.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.864 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.4 -55.67 19.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -56.15 -40.97 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.405 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.2 68.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.477 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.439 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 5.5 p30 -74.92 -26.32 59.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.712 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' B' ' 79' ' ' TYR . 74.3 mt -64.62 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.295 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.78 -38.35 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.142 0.496 . . . . 0.0 109.995 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.75 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.643 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 94.6 mt -64.07 -32.83 74.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.33 -38.63 88.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 110.174 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -66.21 -25.81 67.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.721 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.497 ' HA3' ' HB1' ' B' ' 21' ' ' ALA . . . -79.25 -16.29 78.64 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.16 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.82 16.16 49.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.312 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.423 HD23 HD11 ' B' ' 31' ' ' LEU . 10.3 mp -90.74 -45.55 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -176.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.56 165.97 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.962 0.41 . . . . 0.0 111.565 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.47 167.91 20.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.23 144.01 45.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.188 0.518 . . . . 0.0 111.618 -175.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.464 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 31.0 mmm-85 -116.89 100.28 7.67 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.914 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -78.97 96.38 5.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -114.15 112.03 22.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.426 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.22 -103.46 0.66 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.182 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -124.64 19.84 8.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.082 0.468 . . . . 0.0 110.961 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 76' ' ' ARG . 62.0 mtt85 -124.81 151.67 44.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -111.44 107.94 17.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.969 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 91.9 m-85 -99.87 148.85 24.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.121 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.467 ' CD1' HD13 ' B' ' 59' ' ' LEU . 45.5 m-85 -129.71 148.09 51.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.596 173.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -160.38 160.77 32.71 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.455 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 68.5 mt -57.89 133.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.52 179.22 40.02 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.772 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.72 -35.43 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.965 0.412 . . . . 0.0 110.686 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.41 -47.13 82.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.119 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 21.7 t -69.39 -39.91 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.378 . . . . 0.0 110.425 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.94 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -74.43 -34.8 63.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.708 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.89 -48.85 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.13 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.76 -39.64 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.463 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -64.83 -46.86 80.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.387 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -46.13 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.77 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' B' ' 96' ' ' VAL . 7.6 p -69.05 -29.76 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.954 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -69.62 -44.69 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.254 174.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.463 HG21 ' O ' ' B' ' 91' ' ' ALA . 99.1 t -62.9 -43.72 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' B' ' 93' ' ' VAL . 11.2 p -62.76 -37.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.723 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.36 -48.57 33.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.135 0.493 . . . . 0.0 110.733 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.99 -48.22 77.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.62 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -83.44 -22.02 32.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -171.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 N--CA 1.466 0.325 0 O-C-N 122.221 -0.299 . . . . 0.0 111.403 -179.722 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.964 0.411 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -64.62 -22.56 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.54 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -26.7 67.71 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.928 0.394 . . . . 0.0 110.537 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.83 53.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.307 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 15' ' ' VAL . 89.8 mt -71.32 -41.96 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 109.652 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.22 -20.71 63.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.348 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.02 -44.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -64.89 -41.66 95.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.03 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 11' ' ' LEU . 72.8 t -60.38 -45.41 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.44 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' HB1' ' CB ' ' B' ' 24' ' ' ASN . . . -64.39 -20.96 66.47 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.593 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -79.72 -42.27 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.943 0.402 . . . . 0.0 110.264 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.04 -46.79 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.034 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.31 82.29 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 88.8 tttt -64.34 -37.51 87.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.713 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 -38.0 65.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.314 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 42.6 tp -90.73 25.06 2.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.11 27.77 0.24 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.675 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.817 HD21 HD11 ' A' ' 28' ' ' LEU . 7.0 m120 63.56 -156.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.581 167.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.63 -154.64 20.37 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.39 -176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.79 -11.3 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.27 0.557 . . . . 0.0 110.912 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' A' ' 58' ' ' ASN . 66.6 mtm180 -70.04 -25.31 63.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.461 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.817 HD11 HD21 ' A' ' 24' ' ' ASN . 70.0 mt -71.08 -27.92 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.271 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.3 -32.25 71.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 109.743 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 67.0 mt -67.52 -47.71 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.889 175.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.42 HD13 HD23 ' A' ' 28' ' ' LEU . 94.5 mt -60.31 -40.15 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.585 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.44 -31.43 69.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.781 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 56.8 tp -83.2 -35.09 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.203 178.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.2 mt -75.07 -29.07 60.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.824 0.345 . . . . 0.0 111.293 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.87 -25.13 65.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.945 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -98.09 15.11 25.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.06 153.53 6.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.608 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 9.8 pt-20 -71.8 132.79 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.811 0.339 . . . . 0.0 110.398 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.509 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 16.2 mmt180 -128.56 146.48 50.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.251 -175.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 159.25 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -51.3 -46.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.351 0.407 . . . . 0.0 111.669 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.41 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.434 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.23 -47.94 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.66 77.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.266 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 m -63.15 -49.35 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.13 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.41 ' HB ' ' HE3' ' A' ' 50' ' ' MET . 21.0 p -85.92 -15.07 42.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.834 0.349 . . . . 0.0 111.474 -178.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.12 14.29 80.75 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.262 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.41 ' HE3' ' HB ' ' A' ' 48' ' ' THR . 68.4 mtm -119.69 122.87 42.44 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -68.13 167.56 13.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 111.486 -172.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.07 -41.92 36.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -168.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -56.21 -55.37 34.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.797 0.332 . . . . 0.0 111.492 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.6 m -65.84 -40.22 91.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.094 0.474 . . . . 0.0 110.539 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.35 65.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -59.43 -40.35 86.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.783 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.9 91.91 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.932 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.47 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 41.0 m-80 -75.66 -37.57 59.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.043 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.37 -46.2 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -61.17 -42.02 97.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.56 90.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' O ' HD22 ' A' ' 67' ' ' LEU . 93.3 mt -67.34 -35.18 78.87 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -75.12 -37.32 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -67.15 -29.27 68.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.65 73.04 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.64 18.87 42.98 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.71 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' HG11 ' A' ' 68' ' ' VAL . 1.3 pt? -104.83 -13.27 15.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.002 0.901 . . . . 0.0 111.308 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.52 HG11 ' HG ' ' A' ' 67' ' ' LEU . 21.1 m -129.46 161.47 38.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 174.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.14 155.97 49.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.328 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 79' ' ' TYR . . . -123.93 138.2 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.224 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -118.66 144.68 46.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.19 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -97.11 118.36 33.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.614 0.245 . . . . 0.0 110.926 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -126.35 105.35 8.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.002 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -103.08 1.21 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.749 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -115.7 -8.7 12.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.525 0.679 . . . . 0.0 109.882 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -97.63 152.2 19.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.642 0.734 . . . . 0.0 112.302 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.74 114.54 27.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.747 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -97.14 123.16 40.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 51.2 m-85 -101.91 143.19 32.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.785 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.56 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 38.6 ttp85 -155.55 163.19 40.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.447 ' CG2' ' HB ' ' A' ' 86' ' ' VAL . 47.3 mm -55.84 132.84 19.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.62 76.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.771 0.32 . . . . 0.0 111.773 -174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.93 155.19 26.05 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.067 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.88 -34.16 65.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.118 0.485 . . . . 0.0 111.074 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.77 -27.23 68.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.301 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 67' ' ' LEU . 46.9 t -76.38 -34.86 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.47 89.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.933 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 88' ' ' ARG . 19.8 mtm105 -69.97 -29.61 66.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.029 175.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.455 ' HG ' HD21 ' B' ' 92' ' ' LEU . 6.2 tt -65.45 -47.97 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 175.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.09 -37.39 87.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.156 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.93 -44.17 93.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' HG21 ' A' ' 96' ' ' VAL . 60.7 tp -58.7 -50.66 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.467 HG21 HG13 ' B' ' 15' ' ' VAL . 8.0 p -67.01 -29.97 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.044 0.45 . . . . 0.0 110.542 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -70.69 -36.45 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.909 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.3 t -62.63 -41.66 93.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 92' ' ' LEU . 84.0 t -53.58 -41.87 47.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.35 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.33 -58.34 3.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.987 0.422 . . . . 0.0 111.143 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.51 -49.02 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.705 -171.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 C--N 1.326 -0.419 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.825 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 pttt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.985 0.421 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -28.72 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.721 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.519 . . . . 0.0 110.211 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.46 ' O ' HG22 ' B' ' 15' ' ' VAL . 4.1 mm? -70.12 -44.46 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.94 -46.45 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.095 0.474 . . . . 0.0 109.889 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.49 -44.89 93.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.603 HG11 ' ND2' ' A' ' 24' ' ' ASN . 81.5 t -59.24 -36.74 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.294 175.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.7 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -58.92 -41.65 87.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.625 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -68.12 -42.12 80.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.86 -51.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.267 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.36 72.61 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.41 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -51.26 -39.26 56.35 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.816 0.446 . . . . 0.0 111.932 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -34.56 65.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.433 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 30.8 tp -91.9 2.75 56.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 -176.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.04 83.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.238 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.514 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -176.18 169.77 2.74 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.539 -174.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.8 169.64 12.4 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.433 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.451 ' HD2' ' SD ' ' B' ' 50' ' ' MET . 0.2 OUTLIER -78.74 -13.77 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 109.647 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' B' ' 58' ' ' ASN . 16.9 ptt180 -60.63 -18.88 56.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.16 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.77 -32.01 72.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -67.98 -28.79 67.74 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.459 0.647 . . . . 0.0 110.162 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.406 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 69.4 mt -69.32 -38.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.691 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.55 -38.62 88.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.288 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.64 -44.67 77.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' B' ' 44' ' ' ILE . 60.0 tp -72.25 -41.47 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.177 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 78.8 mt -67.84 -26.7 66.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 111.268 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.64 -10.46 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.192 0.52 . . . . 0.0 110.478 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -102.62 12.1 36.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.161 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.26 150.76 7.17 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.172 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.76 139.17 48.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.738 ' HG2' ' HB3' ' B' ' 43' ' ' ALA . 14.7 ttm-85 -151.33 152.25 32.9 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.974 -171.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -80.47 159.89 25.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.975 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.46 -44.68 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.223 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.47 ' HA ' HD11 ' B' ' 52' ' ' LEU . 2.0 mp0 -55.76 -51.53 67.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.156 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.738 ' HB3' ' HG2' ' B' ' 39' ' ' ARG . . . -67.13 -36.85 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.484 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . 84.9 mt -61.2 -47.4 93.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.392 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.34 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.853 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.4 m -62.62 -46.64 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.26 96.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.817 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 8.9 p -86.28 -9.12 57.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 0.0 111.468 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.25 25.82 72.11 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.161 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.451 ' SD ' ' HD2' ' B' ' 26' ' ' ARG . 68.7 mtm -107.62 171.29 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -78.43 151.0 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.096 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.47 HD11 ' HA ' ' B' ' 42' ' ' GLU . 3.9 mm? -48.76 -46.16 40.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.586 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -67.49 -38.34 84.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.304 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -60.67 -48.52 81.41 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.201 0.525 . . . . 0.0 110.235 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.38 76.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.687 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 45.2 t -57.04 -46.53 82.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.238 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.93 81.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.845 0.355 . . . . 0.0 111.232 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.572 ' HB3' ' HB3' ' B' ' 27' ' ' ARG . 38.9 m-80 -71.92 -35.49 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.002 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' B' ' 79' ' ' TYR . 80.5 mt -62.8 -45.91 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.81 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' B' ' 56' ' ' SER . 94.4 mt-30 -62.03 -38.16 87.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.32 88.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.758 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.1 -39.26 94.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.92 -33.0 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.401 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -69.16 -28.51 66.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.35 -8.57 71.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.386 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 22.63 43.81 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.708 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.61 -42.92 13.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.51 155.34 40.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 0.0 111.868 -176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.98 161.9 14.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.57 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.49 119.13 25.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -103.24 106.68 17.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 72' ' ' ARG . 30.0 ttt180 -97.34 104.34 16.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.384 0.611 . . . . 0.0 111.167 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -100.71 109.91 21.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.483 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.68 -129.69 30.6 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.471 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 5.8 p -94.01 13.43 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.884 0.373 . . . . 0.0 111.469 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -108.65 139.1 43.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.44 . . . . 0.0 111.159 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 27.3 mt-30 -112.05 103.99 12.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.128 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 90.0 m-85 -92.45 121.22 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.978 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.405 ' CD1' HD12 ' B' ' 59' ' ' LEU . 60.0 m-85 -100.9 147.44 26.12 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 121.215 0.531 . . . . 0.0 110.889 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 80' ' ' ARG . 29.5 ttm180 -150.58 157.47 43.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.43 131.11 25.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.78 62.49 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.402 0.439 . . . . 0.0 111.907 -174.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.03 166.84 28.4 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.481 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 1.1 pm0 -68.84 -26.38 65.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.687 0.244 . . . . 0.0 110.389 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.945 0.403 . . . . 0.0 110.079 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.14 -40.59 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.073 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.36 93.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.162 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 64.9 mtm-85 -71.86 -23.81 61.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.63 -48.17 64.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.96 -34.88 79.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -70.09 -36.68 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.455 HD21 ' HG ' ' A' ' 89' ' ' LEU . 47.4 tp -63.94 -48.03 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.744 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.51 -27.7 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.206 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' B' ' 91' ' ' ALA . 7.2 tt0 -63.31 -43.7 97.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.2 t -63.75 -46.66 93.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -38.42 51.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.655 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.72 -64.11 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -52.61 -45.0 66.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.384 -173.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.93 -29.57 65.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -168.494 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -81.66 -27.33 34.12 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.3 77.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.54 66.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.7 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' VAL . 92.7 mt -69.68 -42.19 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.96 -34.05 76.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.18 -42.08 94.0 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.18 -37.25 80.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 11' ' ' LEU . 97.1 t -63.47 -45.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.11 0.481 . . . . 0.0 109.726 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.42 -29.14 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.639 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.612 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 5.6 tpp180 -59.59 -53.56 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.213 0.53 . . . . 0.0 110.044 177.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.514 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.3 t -65.5 -40.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.794 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.67 -42.82 98.05 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.092 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.7 ptpt -73.43 -23.49 60.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.03 0.415 . . . . 0.0 110.989 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.31 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.451 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.532 ' HA ' HD21 ' A' ' 28' ' ' LEU . 91.5 mt -78.64 -25.41 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.2 3.88 5.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.494 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 13.0 m120 -82.61 -36.38 26.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.582 0.23 . . . . 0.0 111.366 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 76.65 -62.01 3.2 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.059 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -55.1 -45.87 75.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.315 0.579 . . . . 0.0 111.345 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.494 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 69.9 mtt180 -78.89 -9.21 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.582 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 22' ' ' LEU . 97.5 mt -69.66 -22.91 63.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.476 ' OE1' ' HD3' ' B' ' 8' ' ' LYS . 10.6 mm100 -59.15 -34.83 72.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.637 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 61.0 mt -70.62 -41.22 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.098 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.402 HD11 HD22 ' A' ' 28' ' ' LEU . 83.8 mt -63.54 -43.82 95.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.955 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.46 -26.98 68.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.659 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.531 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 2.3 tm? -82.73 -38.25 23.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.063 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 65.6 mt -77.0 -10.41 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.431 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.92 -16.29 64.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -78.61 -31.94 47.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.18 -136.58 5.09 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.756 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.635 ' HB3' ' HD2' ' A' ' 80' ' ' ARG . 9.3 pt-20 -105.12 123.69 48.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.985 0.421 . . . . 0.0 110.422 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.531 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 26.5 mmt180 -124.26 143.26 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.643 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -72.2 153.29 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.7 -43.39 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HA ' HD11 ' A' ' 52' ' ' LEU . 1.5 mp0 -64.42 -37.82 88.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.465 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.36 77.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.5 mt -59.45 -47.29 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.442 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -62.73 -46.46 87.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.63 84.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.6 p -84.29 -16.56 42.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.21 24.61 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.337 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mtm -126.8 171.32 11.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -92.08 167.64 11.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.82 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.5 mm? -63.37 -41.75 98.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.245 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.5 p -61.49 -46.83 88.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 111.764 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -72.61 -40.48 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.569 0.223 . . . . 0.0 110.585 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.82 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.474 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 p -65.79 -35.53 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.325 . . . . 0.0 110.79 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.05 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.439 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.71 -39.9 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.409 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.0 mt -60.99 -40.27 92.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.288 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.59 -39.92 92.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.53 95.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.52 -34.92 77.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.28 0.562 . . . . 0.0 110.939 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -78.72 -26.97 44.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.413 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -67.22 -37.56 83.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.612 ' HA2' ' HG3' ' A' ' 17' ' ' ARG . . . -67.3 -24.17 73.47 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.8 43.84 13.67 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.76 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.646 ' HB2' HG11 ' A' ' 86' ' ' VAL . 1.4 pt? -125.06 3.97 7.95 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.063 -0.655 . . . . 0.0 112.162 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.75 148.43 25.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 110.79 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -121.11 160.97 22.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -123.0 129.41 51.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.548 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.84 105.91 14.51 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HB3' ' HG2' ' A' ' 77' ' ' GLN . 21.4 ptt85 -89.92 137.14 32.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 0.0 110.859 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -139.05 112.94 8.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.146 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 -107.53 2.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.47 -175.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -119.16 7.78 11.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.447 . . . . 0.0 110.089 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.14 148.18 26.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.849 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 26.0 mt-30 -121.8 116.0 23.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 175.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -95.6 116.67 29.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 35.3 m-85 -99.55 145.43 27.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.006 0.432 . . . . 0.0 110.308 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.635 ' HD2' ' HB3' ' A' ' 38' ' ' GLU . 12.3 ptm180 -154.41 164.59 38.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.06 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.8 mm -61.14 135.02 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.035 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.12 83.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.67 167.37 33.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.274 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.78 -30.59 70.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 110.999 -177.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 67' ' ' LEU . 43.4 t -77.11 -39.04 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.762 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.93 94.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.305 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -67.75 -26.49 66.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.115 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.24 -51.59 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.39 -34.03 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.61 -44.74 85.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.206 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.439 ' O ' HG22 ' A' ' 96' ' ' VAL . 8.1 tt -58.97 -51.51 69.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.446 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.609 HG12 HD13 ' B' ' 89' ' ' LEU . 19.1 m -65.01 -28.99 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -72.66 -38.04 67.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 91' ' ' ALA . 82.0 t -64.23 -37.0 78.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 174.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 92' ' ' LEU . 88.9 t -61.37 -45.06 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.577 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' B' ' 15' ' ' VAL . . . -71.21 -15.38 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 111.098 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.96 -70.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.378 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.691 -173.261 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.476 ' HD3' ' OE1' ' A' ' 29' ' ' GLN . 82.5 mttt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 111.43 0.159 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.29 -28.44 28.06 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.36 0.412 . . . . 0.0 111.924 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.16 -38.61 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.966 0.413 . . . . 0.0 110.87 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.92 -42.72 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.999 -175.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.401 ' HA ' HG23 ' B' ' 15' ' ' VAL . 85.8 mt -69.34 -31.21 69.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.27 -37.91 81.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 6.3 tp-100 -65.8 -47.17 75.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.809 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' ' 97' ' ' ALA . 25.9 m -70.73 -31.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.072 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.32 -24.56 65.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.096 0.474 . . . . 0.0 110.264 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.546 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 42.4 ttm180 -70.88 -42.36 70.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.966 174.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 52.5 t -58.79 -52.69 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.355 176.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.84 -36.69 92.42 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.352 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -67.32 -28.97 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.525 0.203 . . . . 0.0 111.08 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.34 -20.69 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 88.0 mt -85.7 -31.96 22.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.39 84.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.208 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -169.95 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.834 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.433 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . 100.34 -53.04 0.94 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.474 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -57.72 -41.19 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -83.11 -13.38 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.04 0.448 . . . . 0.0 110.488 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.433 HD12 ' HA2' ' B' ' 25' ' ' GLY . 90.7 mt -72.41 -26.34 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.5 -31.98 71.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.111 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.16 -43.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.328 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -42.24 96.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.8 -33.98 76.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.429 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 31.9 tp -75.43 -48.09 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.828 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.409 HD23 HD12 ' B' ' 44' ' ' ILE . 84.3 mt -71.03 -8.63 54.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.898 0.38 . . . . 0.0 111.62 -177.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -17.28 64.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 3.7 pt20 -86.04 -28.16 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.436 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.43 -173.71 35.53 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.236 -0.507 . . . . 0.0 111.877 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 1.067 ' HG2' ' HB3' ' B' ' 80' ' ' ARG . 40.1 mt-10 -79.84 131.07 35.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.622 0.248 . . . . 0.0 110.708 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -135.16 158.3 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.553 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.454 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.72 150.36 25.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.276 -176.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 47.4 t -51.54 -44.99 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.482 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -44.21 85.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.395 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -40.73 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.985 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 40' ' ' ALA . 79.0 mt -59.63 -47.31 91.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.543 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -49.4 77.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.716 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 55.9 m -59.36 -48.46 81.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.597 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.24 82.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.3 p -88.45 -14.3 38.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 111.507 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.66 51.39 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.297 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -105.56 170.79 7.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.34 163.66 13.79 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.422 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.07 -38.94 84.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.641 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -62.37 -42.04 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -63.66 -49.58 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.41 79.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.441 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 p -61.68 -31.27 71.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.81 -56.04 6.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.579 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.459 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 26.7 p30 -73.3 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.828 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.09 -41.65 97.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 173.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -59.45 -43.5 93.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.464 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.97 82.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.211 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 79.4 mt -65.06 -33.67 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.258 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -71.51 -32.59 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.921 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 44.7 t -64.93 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.546 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -76.74 -14.23 82.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.431 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.24 43.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.379 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.49 -40.05 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.32 154.73 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.122 0.487 . . . . 0.0 111.833 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -116.63 164.35 14.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.789 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.04 137.24 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -171.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -98.14 153.81 18.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -138.96 103.83 4.89 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.999 172.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -124.15 111.19 15.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.662 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.16 -114.25 4.11 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -112.54 -6.89 13.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.418 0.628 . . . . 0.0 109.483 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . 0.421 ' HD2' ' CE1' ' B' ' 78' ' ' TYR . 13.4 ttm180 -94.46 140.17 30.17 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.097 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -117.84 135.23 54.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.162 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' B' ' 76' ' ' ARG . 58.5 m-85 -107.52 144.48 34.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.53 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -123.22 145.81 48.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.206 0.527 . . . . 0.0 111.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 1.067 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -144.45 174.72 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.835 174.588 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -67.82 133.79 31.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.62 60.33 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.54 31.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.182 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 43.3 tt0 -68.62 -30.19 68.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.058 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.68 -32.96 59.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.4 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.85 94.93 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.615 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 27.0 mmt180 -72.64 -27.21 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.134 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.609 HD13 HG12 ' A' ' 93' ' ' VAL . 5.7 tt -61.48 -53.47 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.023 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.52 -36.03 81.28 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.116 0.484 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.418 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.28 -47.78 72.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.8 -45.31 94.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.68 -29.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.22 -39.19 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 91' ' ' ALA . 76.3 t -60.58 -46.98 94.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.186 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 97.3 t -57.14 -45.53 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.363 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.08 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.374 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.04 -48.79 79.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.782 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.715 ' HG3' ' HD2' ' B' ' 100' ' ' HIS . 5.0 pt-20 -85.23 -18.01 35.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . 0.715 ' HD2' ' HG3' ' B' ' 99' ' ' GLU . 10.5 m170 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 62.2 mtp180 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.561 0.219 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -62.78 -41.74 99.38 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.85 76.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.913 0.387 . . . . 0.0 110.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -66.33 -34.27 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.276 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 96.2 mt -72.76 -37.55 67.63 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 95.3 mt -60.8 -40.97 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.258 175.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.37 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -68.9 -39.91 79.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.266 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.798 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -59.4 -40.15 85.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.94 -43.57 91.24 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.699 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.98 -42.26 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.151 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.37 -41.07 99.77 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.573 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 98.7 mttt -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.5 0.191 . . . . 0.0 110.887 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.2 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.0 tp -77.97 -14.89 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.548 0.69 . . . . 0.0 109.892 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.46 21.37 11.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.252 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.598 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -80.06 -1.16 38.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.974 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.07 -95.74 0.12 Allowed Glycine 0 C--O 1.229 -0.203 0 CA-C-N 116.005 -0.543 . . . . 0.0 113.879 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -65.25 -28.81 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 111.367 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.598 ' HB2' ' HB3' ' A' ' 24' ' ' ASN . 89.2 mtt180 -71.29 -14.62 62.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.034 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB3' HD23 ' B' ' 12' ' ' LEU . 83.4 mt -70.07 -20.28 63.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.806 0.336 . . . . 0.0 110.098 177.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.77 -35.46 79.89 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.628 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.4 mt -67.56 -40.81 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.736 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -38.96 88.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 110.113 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 tp -74.3 -38.21 63.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.726 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 77.6 mt -72.64 -18.41 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.207 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.34 61.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.115 0.483 . . . . 0.0 110.066 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -80.13 -40.02 28.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.491 175.336 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.67 178.59 39.85 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.612 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -83.89 146.69 27.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.642 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -146.03 164.55 31.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.002 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.46 151.56 32.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.225 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.45 -41.84 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.558 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.44 -45.75 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.098 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.27 83.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.735 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.45 -47.26 92.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.46 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.8 72.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.7 m -59.39 -47.1 86.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.268 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.99 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.948 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.86 -11.02 34.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 111.664 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.41 19.1 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.653 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.3 mtm -126.9 162.19 26.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -77.83 158.04 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.83 -44.69 90.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.912 0.386 . . . . 0.0 111.099 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -61.95 -44.76 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 110.901 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -60.88 -47.33 86.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.037 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.88 94.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.685 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.6 m -59.87 -37.5 79.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -44.1 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 0.0 110.628 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -64.37 -40.08 95.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 30' ' ' ILE . 88.9 mt -67.25 -36.64 82.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.141 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -60.07 -40.19 88.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.708 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.84 76.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.572 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 27' ' ' ARG . 95.7 mt -63.52 -36.82 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -69.22 -36.33 77.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.405 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.2 m -74.88 -19.18 60.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.697 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 -16.91 73.15 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.99 13.33 56.58 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.95 -41.37 14.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.657 0.265 . . . . 0.0 111.485 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.6 m -122.28 162.22 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.076 0.465 . . . . 0.0 111.738 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.861 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -133.28 155.58 49.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.01 177.404 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.34 126.26 44.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.456 ' NH2' ' HG3' ' A' ' 38' ' ' GLU . 15.5 mtm180 -98.11 126.12 43.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -82.75 95.17 7.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.85 108.67 19.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.712 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.58 -125.14 28.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.373 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -105.64 11.17 32.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.624 0.726 . . . . 0.0 109.724 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -111.91 148.2 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.106 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -102.3 116.04 31.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.472 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -102.68 116.76 33.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.74 149.51 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HG2' ' H ' ' A' ' 81' ' ' ILE . 35.5 ttp180 -158.63 172.0 19.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.569 ' H ' ' HG2' ' A' ' 80' ' ' ARG . 54.5 mt -57.53 137.19 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.861 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -47.04 -49.81 20.65 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.602 0.564 . . . . 0.0 112.162 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.57 169.56 32.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 40.3 tt0 -64.61 -31.23 72.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.121 0.46 . . . . 0.0 110.009 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.89 -45.86 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.216 0.532 . . . . 0.0 109.693 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.93 -34.1 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.146 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.77 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.055 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.701 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 9.9 mmm-85 -69.58 -33.76 73.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.94 -47.03 79.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.082 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.86 -33.88 77.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 110.443 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.32 -41.18 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.889 0.376 . . . . 0.0 110.183 175.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.22 -51.6 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.474 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.526 HG11 HD13 ' B' ' 89' ' ' LEU . 33.1 m -64.56 -30.53 50.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.339 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -72.69 -43.19 63.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.093 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 73.2 t -63.83 -46.79 93.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.504 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.4 -36.27 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 120.65 0.262 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.85 70.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 110.409 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.8 -50.25 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.272 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.168 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.633 ' HB2' ' HZ1' ' B' ' 8' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -28.43 64.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.009 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.388 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' O ' HG21 ' B' ' 15' ' ' VAL . 92.1 mt -67.67 -43.56 79.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' A' ' 28' ' ' LEU . 70.5 mt -65.02 -33.97 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.349 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.64 -40.0 94.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.48 HG21 ' O ' ' B' ' 11' ' ' LEU . 93.6 t -63.64 -38.91 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.995 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.54 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.831 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.49 HH21 ' HA3' ' B' ' 66' ' ' GLY . 16.3 ttp180 -58.26 -47.94 81.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.312 0.577 . . . . 0.0 109.459 178.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.607 HG11 HD23 ' B' ' 67' ' ' LEU . 62.7 t -63.41 -47.49 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.473 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.99 -40.22 93.02 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.744 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -70.17 -26.17 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.595 0.235 . . . . 0.0 111.068 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.58 -30.99 66.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.345 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.496 HD21 HD13 ' B' ' 67' ' ' LEU . 3.9 mm? -82.43 -17.51 45.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.209 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.65 48.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 111.66 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -135.86 -175.34 3.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.908 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.41 -55.17 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.005 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.37 -26.6 66.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.164 0.507 . . . . 0.0 110.648 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.4 -18.47 38.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.295 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.34 -29.19 42.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.3 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.87 -28.21 67.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.429 0.633 . . . . 0.0 109.654 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.47 HG12 HG22 ' B' ' 48' ' ' THR . 66.0 mt -66.79 -40.08 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.544 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.98 -41.46 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -26.46 64.09 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.839 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.53 -36.07 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.542 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -84.03 -10.55 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.13 70.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.936 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -91.9 15.51 12.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.13 159.18 9.82 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.803 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.431 ' HB3' ' CB ' ' B' ' 80' ' ' ARG . 8.7 pt-20 -74.13 136.34 42.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.77 -0.215 . . . . 0.0 110.671 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -134.64 162.23 32.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.678 0.275 . . . . 0.0 110.354 -174.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -78.36 159.34 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.518 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.471 HG22 ' O ' ' B' ' 77' ' ' GLN . 59.6 t -54.31 -43.41 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.288 -178.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.462 ' HA ' HD22 ' B' ' 52' ' ' LEU . 2.3 mp0 -58.72 -43.8 90.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.46 80.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.56 -51.65 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.614 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.48 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.32 -178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -58.0 -50.77 72.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.26 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.47 HG22 HG12 ' B' ' 30' ' ' ILE . 20.3 p -87.86 -18.71 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.584 0.23 . . . . 0.0 111.431 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.9 21.29 47.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.164 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -119.13 158.54 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -78.77 158.26 28.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' B' ' 42' ' ' GLU . 93.9 mt -50.04 -46.71 53.27 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.522 0.514 . . . . 0.0 111.934 -175.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -60.27 -49.3 78.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.673 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -70.31 -37.22 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.882 0.373 . . . . 0.0 110.983 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.27 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.523 ' HA ' HD13 ' B' ' 59' ' ' LEU . 15.9 p -65.57 -32.99 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.05 97.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.747 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -74.84 -30.47 61.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.739 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' B' ' 56' ' ' SER . 56.6 mt -63.47 -41.52 98.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.231 173.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.16 -36.84 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.618 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.91 93.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.79 -29.72 68.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 0.0 110.281 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -68.84 -42.81 76.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.725 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 7.4 p -71.52 -20.62 62.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.401 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.3 -28.93 62.98 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 171.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . 0.49 ' HA3' HH21 ' B' ' 17' ' ' ARG . . . 99.82 24.27 10.06 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.451 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.607 HD23 HG11 ' B' ' 18' ' ' VAL . 8.4 mt -98.78 -43.82 6.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 111.132 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.39 161.42 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.236 0.541 . . . . 0.0 111.513 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -130.96 164.08 26.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.772 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -118.84 136.88 53.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 0.0 111.25 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -132.05 113.03 12.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.141 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -78.95 128.8 33.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.059 0.457 . . . . 0.0 110.422 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.25 107.85 7.9 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.69 -121.62 12.76 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.124 -171.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -102.77 -4.1 25.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 109.938 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -94.11 151.19 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.471 ' O ' HG22 ' B' ' 41' ' ' VAL . 9.8 tt0 -116.59 116.49 27.68 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 83.7 m-85 -98.52 133.05 43.42 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.278 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.411 ' CD1' HD12 ' B' ' 59' ' ' LEU . 42.1 m-85 -106.62 131.87 53.27 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.029 0.443 . . . . 0.0 110.057 176.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.431 ' CB ' ' HB3' ' B' ' 38' ' ' GLU . 4.3 ptm180 -133.04 166.49 22.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.77 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.408 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 55.6 mt -74.77 135.64 26.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.45 66.49 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -174.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.45 173.62 41.89 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.468 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.99 -28.72 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.258 0.551 . . . . 0.0 110.438 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.45 -48.89 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.678 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.408 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 52.2 t -67.71 -38.51 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.523 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.12 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.838 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -65.2 -33.47 76.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 93' ' ' VAL . 5.8 tt -60.27 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.047 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -65.24 -38.23 89.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.492 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.46 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -63.62 -46.38 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.26 -50.68 69.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.61 -31.45 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.763 0.316 . . . . 0.0 110.873 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -62.4 -44.13 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 109.955 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 91' ' ' ALA . 97.9 t -63.81 -42.79 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.442 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 91.1 t -55.32 -48.42 76.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.694 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.98 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.1 -50.36 74.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.04 -176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -72.2 -13.36 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.945 0.402 . . . . 0.0 111.167 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 . . . . . 0 C--N 1.329 -0.316 0 O-C-N 122.221 -0.3 . . . . 0.0 111.057 177.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 . . . . . 0 C--O 1.233 0.233 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.51 -23.22 61.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.163 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -33.29 70.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.257 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.03 83.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -76.52 -36.08 57.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.045 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.44 -40.92 89.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.69 -36.41 83.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.698 0.285 . . . . 0.0 110.428 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -58.13 -54.83 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.681 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.4 -29.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.718 0.294 . . . . 0.0 111.233 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -33.3 70.86 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.38 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -62.47 -42.03 99.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.21 -51.8 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.273 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.73 -25.88 71.88 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.773 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.35 -34.25 67.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.806 0.336 . . . . 0.0 110.682 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.31 -25.9 33.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.18 0.514 . . . . 0.0 109.9 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -35.61 72.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.642 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' B' ' 20' ' ' LYS . . . -80.14 20.66 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.034 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.98 -37.04 22.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.07 -62.1 4.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.95 0.405 . . . . 0.0 111.16 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HD2' ' HG ' ' A' ' 62' ' ' LEU . 42.4 mtm-85 -71.19 -10.04 59.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.832 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.738 0.304 . . . . 0.0 110.433 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -65.22 -28.93 69.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.043 0.449 . . . . 0.0 110.273 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.6 mt -72.61 -44.57 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.994 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.78 -39.62 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.25 -36.98 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.954 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 58.9 tp -74.74 -41.52 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.37 -4.85 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.312 -177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 -15.01 63.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.246 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.7 pt20 -99.3 -7.27 26.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.316 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.55 -133.51 4.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.055 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 9.1 pt-20 -123.52 137.05 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.064 0.459 . . . . 0.0 111.005 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 39' ' ' ARG . 11.8 mmt180 -137.68 147.57 44.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -70.03 152.24 44.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.467 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.1 t -53.7 -42.49 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.436 ' HA ' HD21 ' A' ' 52' ' ' LEU . 1.8 mp0 -59.3 -39.25 82.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.642 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.11 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.581 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 40' ' ' ALA . 80.9 mt -60.38 -44.28 95.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.24 -57.09 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.006 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.1 m -62.72 -39.32 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.6 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.74 73.1 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.9 p -95.76 -9.89 30.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 0.0 111.361 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.52 36.44 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.332 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.6 mtm -115.78 169.79 8.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -94.79 166.61 11.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 42' ' ' GLU . 96.0 mt -53.99 -42.33 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.311 0.382 . . . . 0.0 110.876 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 p -57.06 -54.99 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.549 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -63.29 -42.54 99.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.223 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.64 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.242 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.0 t -61.32 -38.31 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.234 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.83 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.36 -35.25 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.152 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.25 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -64.82 -40.81 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 109.982 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.67 85.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.658 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 98.7 mt -73.65 -7.59 52.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.233 177.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 33.3 ttmt -78.11 -69.67 0.54 Allowed 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -47.92 -43.15 28.76 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.032 -175.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.92 20.82 3.21 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.908 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.658 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -115.28 -19.06 5.98 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 119.861 -1.161 . . . . 0.0 111.814 -176.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 67' ' ' LEU . 6.2 mt 76.33 40.69 0.23 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.711 169.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' LEU . 27.2 m -120.5 148.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 173.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.77 176.89 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.782 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 78' ' ' TYR . . . -139.83 142.36 36.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -127.18 133.89 50.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.177 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -87.78 103.78 15.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.481 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.18 89.77 3.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.826 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.8 -96.85 0.03 OUTLIER Glycine 0 C--N 1.33 0.205 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.937 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -91.64 -21.41 20.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.873 0.368 . . . . 0.0 111.451 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -113.89 167.61 10.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.184 0.516 . . . . 0.0 111.478 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 35.5 tt0 -124.68 114.42 19.3 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.6 m-85 -96.53 133.39 41.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.38 149.92 30.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 18.8 ptt180 -161.48 166.39 27.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -177.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.3 134.64 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -65.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.553 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.35 164.29 17.78 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.415 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -69.71 -26.48 64.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.82 -35.75 81.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.09 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.49 -44.44 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.113 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.429 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.5 mtm105 -66.12 -30.24 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.468 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.45 -50.38 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.99 -31.61 70.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.328 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -72.22 -33.6 67.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 177.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.88 -46.73 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.402 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.34 -29.02 46.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.589 ' HA ' HD13 ' B' ' 11' ' ' LEU . 29.3 tt0 -65.17 -41.39 94.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.051 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.5 t -60.79 -44.52 97.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 110.323 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.5 -49.92 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.435 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.508 ' HB3' HD12 ' B' ' 11' ' ' LEU . . . -66.61 -48.44 69.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.134 -176.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -55.5 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.001 0.429 . . . . 0.0 112.098 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -169.088 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 120.726 0.298 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.66 92.05 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.639 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -31.51 72.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.725 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 94' ' ' GLN . 22.9 tp -64.03 -53.26 52.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.847 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.39 -35.45 79.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.267 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.61 -45.6 71.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.232 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.92 -39.5 76.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.318 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.21 -30.48 48.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.531 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -66.43 -40.32 89.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.185 174.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -57.71 -47.0 83.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.732 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.532 HG11 HD21 ' B' ' 67' ' ' LEU . 58.3 t -60.93 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.568 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -45.79 95.18 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 23' ' ' ALA . 59.9 mtpt -64.4 -25.58 68.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.544 0.211 . . . . 0.0 111.406 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.5 -39.57 62.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.4 -36.23 34.12 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.185 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.82 97.53 0.35 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.045 0.45 . . . . 0.0 110.821 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -166.27 -43.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.338 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.52 -59.12 0.94 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.427 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -68.64 -25.83 65.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 111.422 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -74.86 -16.71 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.34 -22.81 60.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.308 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.79 -33.29 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.168 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 58.9 mt -70.55 -42.74 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.141 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.03 -39.21 93.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.83 -32.86 73.21 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.608 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.72 -46.66 21.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.007 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 51.7 mt -69.46 -15.73 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.822 0.344 . . . . 0.0 111.711 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.59 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.506 . . . . 0.0 110.134 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -91.43 -7.41 50.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.929 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.43 -178.01 22.64 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.354 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.476 ' C ' ' HD2' ' B' ' 39' ' ' ARG . 0.5 OUTLIER -87.31 122.92 31.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.167 179.054 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.476 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -119.66 141.48 49.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.185 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -69.19 159.23 33.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.45 -40.94 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 110.916 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.482 ' HG3' HD22 ' B' ' 52' ' ' LEU . 2.2 mp0 -59.38 -44.71 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.08 72.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.968 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -58.72 -43.77 88.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.26 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.4 -45.25 84.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.061 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.3 m -63.11 -47.99 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.363 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -26.51 64.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.096 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.487 ' HB ' ' SD ' ' B' ' 50' ' ' MET . 26.1 p -93.96 -10.6 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.685 0.279 . . . . 0.0 111.465 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.23 34.7 60.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.079 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.487 ' SD ' ' HB ' ' B' ' 48' ' ' THR . 2.0 mtp -130.15 175.15 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -178.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -83.5 162.51 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.482 HD22 ' HG3' ' B' ' 42' ' ' GLU . 9.6 mp -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.9 t -60.51 -43.63 96.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.599 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 3.8 m -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.153 0.501 . . . . 0.0 110.476 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.37 69.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 65.6 p -65.14 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.529 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.227 0.537 . . . . 0.0 110.265 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.09 -37.78 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.19 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' B' ' 79' ' ' TYR . 86.8 mt -62.85 -39.59 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.618 177.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.09 -42.15 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.338 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.03 85.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 99.6 mt -65.75 -34.74 78.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -69.26 -38.65 78.52 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -65.71 -37.44 86.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.76 -23.21 76.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.404 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.19 17.79 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.725 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.532 HD21 HG11 ' B' ' 18' ' ' VAL . 21.4 mt -99.1 -26.32 14.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.95 145.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.538 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 68.0 mm-40 -112.07 151.17 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.972 176.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.408 ' HB3' ' CE2' ' B' ' 79' ' ' TYR . . . -117.92 109.8 16.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.406 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -116.99 130.35 56.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.229 0.538 . . . . 0.0 109.926 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -100.51 140.11 35.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.009 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.52 128.71 37.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 175.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.79 -99.41 0.3 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.63 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -131.35 4.85 4.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.634 0.254 . . . . 0.0 110.872 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -106.94 141.4 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.957 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -99.13 111.3 23.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 94.4 m-85 -96.19 131.05 43.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' B' ' 70' ' ' ALA . 26.1 m-85 -104.88 146.06 29.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.965 0.412 . . . . 0.0 110.543 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 2.9 tmm_? -155.97 162.17 40.39 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.483 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 64.6 mt -53.39 131.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.171 0.294 . . . . 0.0 110.267 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.523 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -55.32 -51.89 65.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.78 -178.68 25.86 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.923 -1.132 . . . . 0.0 112.994 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.36 -32.62 73.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 0.0 110.112 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -69.11 -41.27 77.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.802 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.501 HG11 HD23 ' B' ' 67' ' ' LEU . 59.5 t -67.88 -40.02 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.21 94.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.456 ' HA ' ' HB1' ' B' ' 91' ' ' ALA . 62.4 mtt180 -86.64 -8.64 57.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.89 -50.85 46.12 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.23 -33.89 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.951 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.63 -46.85 74.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.042 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.5 -45.39 87.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.303 -176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' B' ' 96' ' ' VAL . 11.4 p -63.78 -29.71 48.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.14 0.495 . . . . 0.0 109.986 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.86 -45.36 78.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.131 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 91' ' ' ALA . 87.4 t -63.71 -46.29 95.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.529 -178.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 93' ' ' VAL . 13.4 p -65.29 -31.47 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.61 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.93 -43.32 58.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.958 0.409 . . . . 0.0 109.898 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.13 -50.04 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.441 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.59 -51.19 63.78 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.345 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--N 1.326 -0.422 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.191 -174.286 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 6.1 ptt180 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -57.32 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.05 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -29.82 70.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -36.81 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 91.5 mt -74.68 -38.68 62.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.955 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.45 -41.74 97.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.056 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.18 -42.86 91.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.89 -44.92 88.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.38 -44.78 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.33 79.04 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.913 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -58.16 -45.84 86.73 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.85 -50.35 80.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.56 84.6 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.035 -0.603 . . . . 0.0 112.4 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.57 -38.08 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.11 -20.67 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -3.85 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.581 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' C ' HD21 ' A' ' 24' ' ' ASN . . . -83.49 21.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.585 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.528 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -117.74 145.96 44.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.39 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.86 -60.27 1.09 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.68 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 26' ' ' ARG . 17.4 mtp180 -70.5 -19.53 62.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.875 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -74.1 -22.4 59.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.877 0.37 . . . . 0.0 110.594 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 88.2 mt -69.85 -21.77 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.96 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.6 mt-30 -58.64 -35.74 72.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.928 0.394 . . . . 0.0 110.402 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 58.6 mt -70.82 -42.6 77.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.623 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.04 -38.59 83.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.423 ' CG ' ' HZ3' ' B' ' 8' ' ' LYS . 16.6 t70 -63.69 -47.62 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.365 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 79.9 mt -60.39 -38.9 85.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.9 mt -77.17 -19.86 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.245 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.49 -27.37 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.351 0.596 . . . . 0.0 109.715 174.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.23 -40.03 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.573 175.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.18 164.9 35.65 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.244 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 1.3 pm0 -77.69 109.13 11.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.267 0.556 . . . . 0.0 110.094 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.585 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 88.5 mtt180 -111.13 144.19 40.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.322 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HA ' ' O ' ' A' ' 77' ' ' GLN . . . -72.33 152.58 42.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.245 176.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.66 -45.35 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 O-C-N 123.608 0.567 . . . . 0.0 111.366 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.445 ' HG2' HD12 ' A' ' 52' ' ' LEU . 42.1 mt-10 -63.58 -41.07 98.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.25 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.801 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.3 -43.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.335 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.44 63.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.857 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.7 m -58.3 -48.53 80.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.59 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.25 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 p -84.02 -17.6 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.705 0.288 . . . . 0.0 111.386 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.85 26.84 40.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.87 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.9 mtm -118.76 170.88 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.63 164.58 14.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' HG2' ' A' ' 42' ' ' GLU . 4.4 mm? -57.17 -43.25 82.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.515 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 t -57.36 -39.15 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.346 . . . . 0.0 111.079 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -73.94 -45.4 50.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 110.529 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -63.19 -48.66 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.328 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 43.3 p -64.81 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.374 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.81 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 0.0 110.857 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -68.58 -33.43 74.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.804 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 86.3 mt -66.92 -37.65 84.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.144 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 56' ' ' SER . 25.9 mt-30 -64.78 -34.25 77.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.102 176.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 -29.37 62.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.741 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.867 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 97.3 mt -86.03 -8.03 58.22 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -78.04 -69.61 0.54 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 168.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -47.46 -49.9 24.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.157 -174.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.9 25.92 3.32 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.04 -1.076 . . . . 0.0 112.417 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.867 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -111.47 -22.56 6.05 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 119.719 -1.229 . . . . 0.0 112.054 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.624 ' HB2' HG12 ' A' ' 86' ' ' VAL . 6.8 mt 78.32 36.0 0.23 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.985 -0.607 . . . . 0.0 111.683 168.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG13 HD12 ' A' ' 81' ' ' ILE . 35.1 m -120.01 160.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 174.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -120.73 166.45 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.2 126.31 43.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.331 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.54 129.59 52.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.528 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 41.9 mtm180 -93.66 130.93 39.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.321 0.582 . . . . 0.0 112.233 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 31.7 tt0 -112.77 97.81 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.814 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.88 -98.79 0.37 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.359 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 m -103.64 -18.27 14.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 111.227 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -100.59 152.23 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 112.015 -172.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.528 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 51.4 mt-30 -108.83 121.57 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.439 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 22.5 m-85 -104.67 126.44 51.76 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.436 ' O ' HD23 ' A' ' 34' ' ' LEU . 15.6 m-85 -100.96 146.19 27.71 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.662 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.11 153.49 34.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.225 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.567 HD12 HG13 ' A' ' 68' ' ' VAL . 31.7 mm -59.67 132.28 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.61 85.92 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.7 162.96 28.3 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.394 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -29.51 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.352 0.596 . . . . 0.0 109.495 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -57.82 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.059 175.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 67' ' ' LEU . 60.8 t -59.35 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.075 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.72 93.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -77.26 -21.97 52.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.07 -45.03 90.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 63.8 t80 -68.38 -37.46 80.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.374 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 95' ' ' VAL . . . -64.96 -38.57 91.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.857 0.36 . . . . 0.0 110.705 176.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.64 -47.39 85.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.593 ' HA ' HG13 ' A' ' 96' ' ' VAL . 34.8 m -68.09 -29.2 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.198 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 90' ' ' PHE . 53.9 mt-30 -67.42 -40.93 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.934 0.397 . . . . 0.0 110.359 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 91' ' ' ALA . 86.8 t -70.71 -46.77 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.181 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 93' ' ' VAL . 8.4 p -62.56 -29.7 47.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.868 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.52 -46.03 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.66 -47.83 79.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.877 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.479 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.423 ' HZ3' ' CG ' ' A' ' 32' ' ' ASP . 55.8 mtpt . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.496 0.189 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.85 -42.24 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.35 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.202 0.525 . . . . 0.0 110.825 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.454 ' O ' HG23 ' B' ' 15' ' ' VAL . 93.5 mt -72.43 -40.83 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.985 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.99 -33.81 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.65 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.99 -46.75 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.479 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.65 -42.39 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 11' ' ' LEU . 73.3 t -60.0 -48.18 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.248 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.87 70.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.287 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.58 -38.76 74.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.973 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.744 HG13 HD11 ' B' ' 67' ' ' LEU . 95.9 t -63.42 -48.86 85.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.094 175.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.31 -34.7 90.68 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.295 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -66.29 -29.72 70.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.0 -32.68 63.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.043 0.449 . . . . 0.0 110.208 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tp -88.13 20.33 3.24 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.864 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.19 16.32 18.5 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.512 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 32.1 p30 -151.86 169.8 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.166 176.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.6 -46.88 4.46 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -165.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -69.99 -22.61 63.11 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 117.759 0.779 . . . . 0.0 112.111 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -76.53 -19.63 57.74 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.916 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 76.6 mt -76.5 -31.59 57.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 175.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' B' ' 48' ' ' THR . 47.2 tt0 -59.97 -35.18 74.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.323 176.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.09 -47.93 85.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.132 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.23 -36.35 79.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.119 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.65 -43.12 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.91 -33.6 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.45 -5.28 54.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.501 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.53 -4.7 28.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.342 0.591 . . . . 0.0 110.261 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.53 -12.04 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.441 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.28 -109.15 1.22 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.276 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.616 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 20.5 mt-10 -118.17 113.37 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.775 0.322 . . . . 0.0 110.42 -175.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' B' ' 39' ' ' ARG . 54.5 mmt-85 -120.59 146.39 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.644 0.259 . . . . 0.0 110.723 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.31 149.09 46.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.689 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.56 -37.53 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.412 ' HA ' HD12 ' B' ' 52' ' ' LEU . 48.5 mt-10 -60.81 -40.76 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.35 -41.24 76.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -58.72 -50.31 79.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.66 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.27 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.395 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -65.86 -47.26 75.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 -178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -29.78 69.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.661 -176.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.456 ' HA ' ' NE2' ' B' ' 29' ' ' GLN . 23.3 p -92.4 -5.71 51.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.624 -177.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 35.58 79.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.55 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.514 ' HB3' ' HB ' ' B' ' 54' ' ' THR . 78.4 mtm -123.43 175.12 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.69 0.281 . . . . 0.0 110.277 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.32 169.02 11.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 42' ' ' GLU . 4.4 mm? -62.02 -39.91 93.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -60.67 -49.75 76.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.636 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' B' ' 50' ' ' MET . 2.0 m -61.98 -45.16 94.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.42 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -60.34 -38.51 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.335 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.43 83.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.866 0.365 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -68.9 -38.07 79.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.79 -48.44 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 177.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . 0.448 ' HA ' ' HB3' ' B' ' 63' ' ' LYS . 26.0 tt0 -65.7 -26.22 67.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -176.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.06 -48.42 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.11 -32.02 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.879 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' B' ' 60' ' ' GLN . 88.4 tttt -64.15 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.727 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -72.49 -24.55 61.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.283 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.8 88.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.328 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.97 21.53 73.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.839 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.744 HD11 HG13 ' B' ' 18' ' ' VAL . 6.7 mp -90.3 -45.15 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.516 0.198 . . . . 0.0 111.486 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -129.06 154.74 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.71 0.291 . . . . 0.0 111.436 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -137.6 161.77 35.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.094 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.47 143.46 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.271 0.558 . . . . 0.0 111.84 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.799 ' HB3' ' HB2' ' B' ' 78' ' ' TYR . 21.4 ttt180 -116.97 105.79 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.976 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.04 98.51 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -117.71 115.58 25.33 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.93 -102.12 1.39 Allowed Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.9 t -130.24 -4.09 4.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.001 0.429 . . . . 0.0 110.621 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -104.66 156.27 18.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.055 0.455 . . . . 0.0 111.219 -174.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -105.27 113.44 27.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.799 ' HB2' ' HB3' ' B' ' 71' ' ' ARG . 77.2 m-85 -90.95 157.13 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.607 171.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -130.78 140.76 50.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.616 ' HD2' ' HG2' ' B' ' 38' ' ' GLU . 15.0 ptm180 -144.34 162.07 37.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.84 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.65 129.86 31.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.13 -70.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.749 0.656 . . . . 0.0 111.907 -172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.22 157.59 15.88 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.686 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -70.22 -25.04 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.22 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.46 HG13 ' HA ' ' B' ' 67' ' ' LEU . 25.7 t -66.41 -38.87 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.177 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.21 99.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.501 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.17 -29.35 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.951 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.32 -44.79 95.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.386 . . . . 0.0 109.974 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.46 -42.25 98.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.536 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -68.31 -38.49 81.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.41 -50.5 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.361 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.0 -32.23 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.306 . . . . 0.0 110.581 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -61.4 -43.98 97.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.147 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.536 HG22 ' O ' ' B' ' 91' ' ' ALA . 62.2 t -57.37 -53.42 44.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.852 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.13 -46.71 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.96 -54.12 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.489 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -69.62 -48.88 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.471 -175.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.4 p80 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.8 -176.575 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.7 ttm105 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.272 0.558 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -70.2 -33.1 71.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.112 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.04 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.264 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.37 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.206 0.527 . . . . 0.0 110.722 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 15' ' ' VAL . 94.2 mt -73.2 -41.61 63.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.415 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.43 -28.93 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.27 -42.68 99.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.24 -41.32 97.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 11' ' ' LEU . 90.3 t -62.16 -52.13 63.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.96 0.409 . . . . 0.0 110.522 177.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -28.05 69.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.713 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -63.65 -40.76 97.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.552 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 67' ' ' LEU . 84.2 t -64.26 -48.72 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.092 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.39 99.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.161 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -65.51 -27.56 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.6 0.36 . . . . 0.0 111.07 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.05 -11.59 43.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.679 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.0 -10.68 24.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.903 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.77 55.34 2.68 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.678 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.4 t-20 -170.83 110.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.488 176.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.19 78.26 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.407 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -60.94 -38.73 86.89 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.922 0.361 . . . . 0.0 111.756 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 24' ' ' ASN . 9.3 ptp180 -80.28 -24.28 40.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 69.8 mt -73.85 -13.43 60.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -176.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.73 -33.17 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.58 -42.9 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.278 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 34' ' ' LEU . 77.3 mt -66.52 -30.77 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.907 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.9 -36.86 84.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 110.089 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.12 -36.48 47.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.679 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 2.7 mm? -70.21 -27.3 64.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.845 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -17.36 64.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.101 0.477 . . . . 0.0 110.835 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -83.31 -22.74 32.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.315 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.16 -175.43 30.86 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.101 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -72.18 127.04 31.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.133 0.492 . . . . 0.0 110.295 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -119.33 143.32 47.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.738 -173.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -77.5 148.79 35.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 77' ' ' GLN . 57.4 t -53.34 -39.11 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 111.079 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 42.9 mt-10 -61.75 -49.3 76.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.132 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -62.21 -48.99 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.75 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.363 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -57.48 -51.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.71 99.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.501 ' HB ' ' HE1' ' A' ' 50' ' ' MET . 23.1 p -81.65 -11.99 58.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.73 36.2 37.99 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.674 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.501 ' HE1' ' HB ' ' A' ' 48' ' ' THR . 23.5 ptp -132.68 175.16 9.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.693 0.246 . . . . 0.0 110.639 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.51 164.84 21.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.79 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 92.0 mt -61.18 -44.22 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -67.18 -31.79 72.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.818 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.7 m -71.27 -45.79 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.237 0.541 . . . . 0.0 110.358 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.49 89.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.077 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.6 p -67.96 -26.89 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.23 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.17 87.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.206 0.527 . . . . 0.0 110.271 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -67.05 -42.9 84.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.078 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.66 -36.29 78.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.732 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.55 -41.94 95.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.157 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.18 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.951 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.84 -28.45 65.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.212 0.53 . . . . 0.0 110.475 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -71.33 -45.36 63.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.321 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -72.24 -26.88 62.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.35 -25.6 74.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.781 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.09 21.82 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.901 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.554 HD12 HG12 ' A' ' 18' ' ' VAL . 10.1 mp -96.28 -41.5 8.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.51 155.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.308 0.575 . . . . 0.0 111.912 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 47.7 mt-10 -110.98 168.38 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.642 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.83 122.53 34.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HB3' ' OE2' ' A' ' 73' ' ' GLU . 17.0 mtp180 -123.96 123.09 39.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.415 175.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -97.06 105.99 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' A' ' 71' ' ' ARG . 35.7 mm-40 -100.6 104.06 15.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.571 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.87 -112.18 4.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.885 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m -104.44 -13.38 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.965 0.412 . . . . 0.0 110.707 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -102.33 145.51 29.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.518 -176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 41' ' ' VAL . 35.9 tt0 -105.89 130.9 53.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.062 0.458 . . . . 0.0 109.935 177.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -112.84 148.56 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.196 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -120.56 139.9 52.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.374 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -142.74 163.03 33.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.401 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.65 135.47 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.566 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.24 -38.32 68.34 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -174.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -169.49 173.71 43.8 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.988 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.09 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.532 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.05 -47.52 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.2 t -66.07 -40.37 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.28 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.641 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -66.21 -32.47 73.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.753 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.8 tp -59.68 -49.38 77.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.378 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.53 -36.8 85.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.477 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.69 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.1 -38.65 69.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.266 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.69 -29.89 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.055 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.32 -43.16 99.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.709 174.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 57.5 t -54.4 -52.96 34.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.076 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.457 176.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.578 HG21 HG23 ' B' ' 86' ' ' VAL . 46.4 t -53.84 -47.27 63.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.897 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HB1' ' CG ' ' B' ' 14' ' ' GLN . . . -60.14 -50.35 74.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.379 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.9 -43.78 91.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.523 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 95' ' ' VAL . 32.3 mm-40 . . . . . 0 N--CA 1.464 0.275 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.95 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.027 0.441 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.311 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.21 74.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.317 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.09 -32.59 69.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.46 . . . . 0.0 110.48 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.99 -37.24 61.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.571 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.01 -14.73 59.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.822 0.344 . . . . 0.0 110.792 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.437 ' CG ' ' HB1' ' A' ' 97' ' ' ALA . 7.3 tp60 -76.05 -45.8 32.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.74 -27.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.143 0.497 . . . . 0.0 109.948 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -36.44 82.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.281 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' B' ' 14' ' ' GLN . 39.7 ttt180 -62.03 -38.2 87.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.537 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.37 -50.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.04 -29.46 74.44 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.294 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.76 -39.7 94.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.039 0.447 . . . . 0.0 110.087 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -26.6 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 110.561 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.71 21.95 5.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.089 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.26 13.85 33.79 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -170.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.621 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 1.6 p30 -142.78 162.87 34.33 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.734 -0.604 . . . . 0.0 110.173 172.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.66 -48.86 6.01 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -166.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -82.02 -10.63 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -166.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.598 ' HG2' ' OD1' ' B' ' 24' ' ' ASN . 22.6 ptt180 -91.82 -9.17 44.44 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 118.986 -1.085 . . . . 0.0 109.957 172.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 85.6 mt -73.15 -27.76 61.84 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.89 -31.09 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.081 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 63.2 mt -69.75 -39.37 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 177.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.99 -41.15 97.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.497 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.21 -33.08 74.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.452 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.442 HD22 HG12 ' B' ' 44' ' ' ILE . 10.4 tt -77.27 -28.19 53.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.025 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.586 HD13 HG12 ' B' ' 68' ' ' VAL . 82.2 mt -95.18 -6.93 40.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.314 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.66 -8.92 51.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.147 0.499 . . . . 0.0 110.484 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.86 12.82 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.584 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.16 176.01 14.14 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.982 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.461 ' C ' ' HD2' ' B' ' 39' ' ' ARG . 0.9 OUTLIER -91.57 125.24 36.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.154 0.502 . . . . 0.0 110.623 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.461 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -129.04 150.88 50.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.477 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.07 156.71 23.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 t -49.64 -37.79 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 123.6 0.562 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.1 -50.41 74.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.686 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.85 79.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.125 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.7 mt -57.43 -50.5 76.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.28 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.262 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 61.7 m -62.27 -47.6 83.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.72 74.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.679 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.42 ' HB ' ' HE3' ' B' ' 50' ' ' MET . 17.4 p -88.19 -7.99 56.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 111.723 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.23 36.56 45.0 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.685 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.42 ' HE3' ' HB ' ' B' ' 48' ' ' THR . 25.2 ptp -130.72 178.88 6.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.767 0.283 . . . . 0.0 110.341 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -87.32 154.14 20.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.65 -42.41 88.33 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.573 0.225 . . . . 0.0 111.565 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 28.8 m -66.28 -36.74 83.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.973 0.416 . . . . 0.0 110.337 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -64.48 -47.14 80.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.291 0.567 . . . . 0.0 110.191 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.891 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -62.46 -33.55 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.91 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.13 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.43 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -64.73 -39.92 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.489 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.37 -35.57 81.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.089 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -64.0 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.182 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.76 -45.75 81.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.579 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.35 -36.27 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.418 ' HE2' ' HB1' ' B' ' 70' ' ' ALA . 40.1 ttmt -64.46 -44.47 90.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.0 m -67.31 -32.66 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.407 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.95 -17.15 79.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.414 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 20.62 49.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.92 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.51 -40.59 18.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.586 HG12 HD13 ' B' ' 34' ' ' LEU . 27.4 m -133.21 150.27 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 111.731 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -106.09 149.19 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.876 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . 0.418 ' HB1' ' HE2' ' B' ' 63' ' ' LYS . . . -102.93 128.69 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 0.0 110.819 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.65 108.34 11.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.742 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 72' ' ' ARG . 48.6 mtt180 -83.76 131.31 34.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 112.52 9.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.59 -102.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.994 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -113.3 -17.24 12.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.188 0.518 . . . . 0.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . 0.516 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 72.3 mtt180 -98.88 146.57 25.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.16 0.505 . . . . 0.0 111.861 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -100.42 107.88 19.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.516 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 97.4 m-85 -92.12 146.59 23.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.267 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.483 ' HB3' HD12 ' B' ' 34' ' ' LEU . 42.8 m-85 -122.01 143.04 49.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.192 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 18.9 ttm-85 -145.09 154.78 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.469 HD12 HG11 ' B' ' 68' ' ' VAL . 43.8 mm -51.67 134.09 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.11 62.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.284 -173.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.33 152.46 24.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.0 -31.94 73.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.067 0.434 . . . . 0.0 110.251 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -35.7 81.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.578 HG23 HG21 ' A' ' 96' ' ' VAL . 36.1 t -69.8 -37.33 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.174 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 110.205 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.04 -25.26 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.993 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.53 -35.16 79.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.317 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.486 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -68.99 -43.17 75.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.837 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 60.6 tp -57.47 -51.23 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.216 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.499 ' HA ' HG13 ' B' ' 96' ' ' VAL . 10.5 p -66.47 -29.4 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.651 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.01 -45.94 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.176 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.486 HG21 ' O ' ' B' ' 91' ' ' ALA . 85.0 t -66.26 -45.65 89.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.216 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' B' ' 93' ' ' VAL . 8.0 p -61.44 -32.86 54.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.589 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.34 -46.31 28.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.021 0.438 . . . . 0.0 110.588 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.74 -37.41 84.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -85.09 -41.64 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.459 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -171.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 . . . . . 0 N--CA 1.457 -0.119 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -55.33 -28.7 55.45 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.275 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.91 69.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.118 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.4 71.85 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.088 0.471 . . . . 0.0 110.618 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.54 -26.08 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.538 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.1 -50.75 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.765 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.475 HE21 HG23 ' A' ' 18' ' ' VAL . 23.1 tp60 -67.26 -40.61 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.374 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -59.68 -44.56 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.26 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.695 ' HA ' ' O ' ' B' ' 23' ' ' ALA . . . -62.23 -35.74 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.115 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.583 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 37.7 ttm105 -73.21 -32.33 64.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.725 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.493 HG13 HD12 ' A' ' 67' ' ' LEU . 70.1 t -73.29 -47.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.19 175.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.17 -41.67 99.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.686 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -59.75 -39.11 83.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 110.538 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.82 61.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.117 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.55 -32.67 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.282 0.563 . . . . 0.0 110.3 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.34 101.16 4.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -162.93 -67.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.73 176.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 -85.24 0.38 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.349 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -73.15 -28.34 62.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HD3' ' OD1' ' A' ' 58' ' ' ASN . 50.7 ttp85 -70.24 -15.81 62.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.288 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.0 -17.48 60.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.169 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.34 -24.86 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 109.982 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -69.97 -36.87 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.961 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.13 -34.97 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.9 -30.79 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 39' ' ' ARG . 6.9 tt -79.45 -45.14 19.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.955 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.27 -11.23 60.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.46 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.01 -14.61 62.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -82.15 -20.42 37.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.149 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.96 -155.18 23.68 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.617 ' HG3' ' HB3' ' A' ' 80' ' ' ARG . 26.9 tt0 -86.91 115.79 24.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HG2' HD21 ' A' ' 33' ' ' LEU . 6.6 tpt180 -125.97 147.97 49.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.804 -171.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 156.11 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.041 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.42 -41.16 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.827 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.524 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 1.8 mp0 -58.74 -45.71 89.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.344 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.04 97.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.876 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.4 -48.98 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.547 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.69 -50.89 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.088 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -59.66 -49.04 79.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.093 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.09 77.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -81.33 -19.52 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.228 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.87 15.97 57.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.328 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -114.32 176.4 5.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.679 0.275 . . . . 0.0 110.532 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -88.15 168.85 12.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.39 -46.65 87.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.805 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 t -67.31 -28.26 67.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 110.436 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -71.45 -46.19 60.64 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.382 0.61 . . . . 0.0 109.933 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.8 77.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 p -66.24 -31.11 71.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.48 96.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' OD1' ' HD3' ' A' ' 27' ' ' ARG . 34.9 m-80 -72.37 -35.37 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.404 HD22 HD12 ' A' ' 62' ' ' LEU . 78.9 mt -65.1 -36.98 86.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 176.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.883 176.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.56 91.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.764 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 59' ' ' LEU . 87.3 mt -63.44 -41.62 98.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.723 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -68.87 -36.28 77.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.547 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.8 m -63.78 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.583 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -77.73 -26.81 60.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.039 175.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.97 21.04 11.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 18' ' ' VAL . 1.4 mp -94.49 -40.45 9.88 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 m -123.77 163.41 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.278 0.561 . . . . 0.0 112.171 -174.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -126.69 172.8 10.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.868 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -144.9 132.66 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.858 0.361 . . . . 0.0 111.021 -177.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -124.64 121.78 35.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.034 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -81.0 96.76 7.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 174.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -109.83 129.61 55.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.01 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.68 -101.14 0.97 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.441 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 m -131.86 1.82 3.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 0.0 110.485 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.524 ' HD3' ' OE1' ' A' ' 42' ' ' GLU . 57.0 mtt180 -119.27 168.79 10.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.036 -175.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -102.66 122.55 44.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.713 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -108.3 124.99 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 27.1 m-85 -100.52 148.05 25.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.266 0.555 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.617 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . 6.2 ptm180 -144.75 169.85 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.938 -175.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.11 140.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 39.26 0.46 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 143.13 138.25 3.4 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.93 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.66 -30.05 70.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 110.149 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.1 -34.7 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.492 . . . . 0.0 109.948 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.0 -35.5 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.868 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.46 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -72.73 -20.33 61.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.67 -49.54 74.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -66.55 -37.47 85.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.44 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.47 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -63.95 -44.84 91.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.45 -51.25 70.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.896 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.09 -30.14 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 110.925 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -69.35 -40.59 77.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.331 . . . . 0.0 110.207 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 91' ' ' ALA . 74.1 t -63.19 -47.19 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.431 176.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.67 -39.66 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 176.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.1 78.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.767 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.61 -48.52 74.57 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.122 0.487 . . . . 0.0 110.741 -176.63 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' B' ' 12' ' ' LEU . 18.1 ptpt . . . . . 0 N--CA 1.461 0.079 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.798 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.73 -30.36 62.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 110.278 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.448 ' O ' HG22 ' B' ' 15' ' ' VAL . 9.9 mp -74.26 -41.55 61.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 8' ' ' LYS . 89.2 mt -62.54 -35.87 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.351 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 21.3 t70 -63.39 -43.02 98.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.487 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.07 -45.21 94.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.953 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.448 HG22 ' O ' ' B' ' 11' ' ' LEU . 86.9 t -59.42 -39.52 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.299 176.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.55 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 57.3 mtt180 -65.37 -42.31 92.85 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 109.964 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.451 HG12 HD11 ' B' ' 67' ' ' LEU . 91.3 t -62.09 -42.92 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.662 174.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.28 -26.47 71.66 Favored Glycine 0 C--O 1.221 -0.697 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.014 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.96 -30.83 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.299 0.55 . . . . 0.0 110.859 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' B' ' 62' ' ' LEU . . . -77.05 -42.06 39.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 109.913 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.471 ' HB2' HD21 ' B' ' 67' ' ' LEU . 33.0 tp -90.15 19.54 4.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.242 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.695 ' O ' ' HA ' ' A' ' 16' ' ' ALA . . . -69.01 -81.18 0.04 OUTLIER 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.53 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.436 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 29.8 p30 -146.88 178.78 8.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.145 0.498 . . . . 0.0 111.762 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.66 173.91 30.83 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.345 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -70.89 -3.17 17.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.99 0.424 . . . . 0.0 110.672 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.571 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 76.9 mtm180 -58.55 -35.6 72.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.423 ' HA ' HD11 ' B' ' 31' ' ' LEU . 66.1 mt -66.65 -33.44 75.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.854 177.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -66.75 -36.29 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.677 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.475 HG12 HG21 ' B' ' 48' ' ' THR . 67.2 mt -66.23 -39.65 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.263 177.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' B' ' 28' ' ' LEU . 96.0 mt -56.58 -46.74 80.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.193 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . 0.592 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 19.9 t70 -62.0 -41.38 97.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.497 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.401 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 30.6 tp -63.6 -33.42 75.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.426 HD12 HG11 ' B' ' 68' ' ' VAL . 69.3 mt -85.49 -19.2 31.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.403 . . . . 0.0 111.024 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 -26.66 60.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 109.848 174.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 74.8 mt-30 -69.52 -27.95 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.672 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.88 171.87 33.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.288 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' B' ' 80' ' ' ARG . 25.3 tt0 -75.37 125.6 29.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.401 ' NE ' ' HG ' ' B' ' 33' ' ' LEU . 26.9 ttm-85 -135.06 137.23 42.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.128 0.49 . . . . 0.0 111.468 -171.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.478 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -77.78 151.83 33.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.687 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.43 -46.67 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 O-C-N 123.484 0.49 . . . . 0.0 112.099 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.53 -41.91 86.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.371 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.02 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.7 mt -58.92 -51.66 69.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.28 177.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -56.08 -49.23 74.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.366 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -60.98 -48.82 80.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.434 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -33.59 76.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 0.0 111.777 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' THR . . . . . 0.478 ' HB ' ' HE3' ' B' ' 50' ' ' MET . 28.3 p -86.03 -15.33 41.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.455 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 19.85 67.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.478 ' HE3' ' HB ' ' B' ' 48' ' ' THR . 75.3 mtm -115.57 152.26 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -72.81 158.45 35.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.35 -35.52 62.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.514 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -64.52 -46.13 84.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.156 0.503 . . . . 0.0 110.671 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 18.7 m -66.72 -45.74 77.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.94 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -52.95 63.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.197 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -56.39 -49.69 73.74 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.284 0.365 . . . . 0.0 111.224 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.01 -43.44 77.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 111.423 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.571 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 46.4 m-80 -73.5 -36.65 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.423 HD23 HG23 ' B' ' 30' ' ' ILE . 87.9 mt -64.6 -42.79 95.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.736 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.68 -33.26 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.3 -48.97 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.747 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' B' ' 21' ' ' ALA . 70.7 mt -60.75 -37.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.18 177.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -68.67 -35.95 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.157 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 53.0 m -70.22 -23.39 62.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.42 -13.2 74.03 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.918 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.43 22.36 47.81 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.305 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.546 ' HA ' HG12 ' B' ' 86' ' ' VAL . 8.7 mp -86.27 -48.49 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.87 0.367 . . . . 0.0 111.082 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.431 HG13 HD13 ' B' ' 81' ' ' ILE . 33.5 m -126.91 155.32 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.655 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -119.32 167.3 12.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.06 111.75 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.862 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -97.1 107.61 20.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.711 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -91.62 102.69 15.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.736 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.33 107.05 13.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.316 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.81 -115.02 4.82 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.444 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -106.55 -6.95 17.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 0.0 110.176 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -98.14 136.84 37.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.679 -173.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -103.75 109.95 21.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.486 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.402 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 97.1 m-85 -93.5 122.19 35.68 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.056 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.04 133.63 47.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.172 0.51 . . . . 0.0 110.272 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 1.5 tmm_? -151.19 156.1 40.23 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.55 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 33.7 mm -51.13 128.2 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.307 0.379 . . . . 0.0 110.646 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.04 89.61 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.507 -173.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.83 147.77 19.23 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 34.6 tt0 -62.86 -33.44 75.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.03 0.415 . . . . 0.0 110.335 -176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . 0.573 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 6.7 m-20 -62.48 -31.94 72.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' B' ' 67' ' ' LEU . 61.7 t -65.93 -43.19 92.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.161 0.505 . . . . 0.0 109.779 175.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.41 91.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.33 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.573 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 97.8 mtt180 -61.33 -39.84 92.01 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.146 176.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.55 -47.23 82.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.686 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.52 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.586 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.404 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -66.86 -39.86 87.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.287 177.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.535 ' O ' HG22 ' B' ' 96' ' ' VAL . 52.3 tp -62.9 -53.53 52.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.518 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.66 -26.85 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.25 -46.9 88.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 109.81 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' B' ' 99' ' ' GLU . 60.9 t -68.63 -42.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.293 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.535 HG22 ' O ' ' B' ' 92' ' ' LEU . 95.0 t -61.77 -15.58 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.366 0.603 . . . . 0.0 110.942 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 14' ' ' GLN . . . -85.96 -56.84 3.28 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.723 173.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.55 -44.7 77.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -170.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -92.05 -13.72 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.938 -172.328 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.967 0.413 . . . . 0.0 110.455 -177.213 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.446 0.165 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.91 -29.15 69.42 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.532 0.206 . . . . 0.0 111.12 -174.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.46 -29.31 64.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.509 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.62 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' B' ' 98' ' ' ASP . 4.2 mm? -69.75 -51.5 33.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.828 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.92 -19.98 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.36 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.57 -43.34 90.12 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.847 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.507 ' HB2' ' HB2' ' B' ' 97' ' ' ALA . 4.7 mm-40 -67.69 -45.61 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.962 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.86 -39.76 58.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.398 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.54 -54.4 47.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.581 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.37 -34.84 75.16 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.804 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 14' ' ' GLN . 96.5 t -64.71 -50.0 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.905 0.383 . . . . 0.0 110.238 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.05 -34.32 86.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.356 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -68.82 -35.61 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.634 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.98 72.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.0 0.429 . . . . 0.0 110.211 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -35.62 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.987 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 100.4 3.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.322 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.32 -41.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.264 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.444 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 82.07 -53.18 4.72 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.05 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.33 -43.55 92.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.725 0.297 . . . . 0.0 111.108 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -72.29 -15.62 61.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 ' HA2' ' A' ' 25' ' ' GLY . 80.4 mt -76.03 -14.14 60.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 111.016 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.72 -25.45 67.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.174 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 69.9 mt -69.44 -48.74 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 67' ' ' LEU . 96.1 mt -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.44 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.508 ' CG ' ' HZ2' ' B' ' 8' ' ' LYS . 33.3 t70 -63.13 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.85 178.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 52.6 tp -72.88 -33.86 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.624 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 73.9 mt -79.77 -12.92 59.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.968 0.413 . . . . 0.0 110.958 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.58 -18.88 61.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.029 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.8 pt20 -100.49 6.83 44.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.15 0.5 . . . . 0.0 110.149 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.07 156.37 7.12 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.293 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.47 131.88 43.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 139.35 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 -170.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -66.57 159.49 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.155 177.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.39 -52.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.607 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.22 -37.6 83.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.795 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.48 84.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.515 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.98 -44.48 98.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.32 82.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.971 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.4 m -61.99 -47.52 84.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.63 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.652 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -85.79 -14.18 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.33 . . . . 0.0 111.534 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.52 25.5 63.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.185 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.8 mtm -110.55 175.84 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.426 ' HB2' ' OG1' ' A' ' 54' ' ' THR . 0.9 OUTLIER -80.63 160.68 24.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.83 -35.49 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -60.28 -46.82 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.245 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 51' ' ' ASN . 3.0 m -62.47 -46.44 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.62 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -61.33 -56.09 24.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.113 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -60.53 -36.09 77.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.736 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.93 96.48 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.943 0.402 . . . . 0.0 110.842 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -73.19 -35.08 66.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.813 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.2 mt -61.46 -45.07 95.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.718 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -64.82 -37.32 87.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.626 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.38 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.037 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 67' ' ' LEU . 87.8 mt -65.45 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.716 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 m -69.17 -25.2 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.836 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.89 -11.66 61.42 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.171 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.32 25.48 28.38 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.693 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 62' ' ' LEU . 3.9 mm? -90.86 -48.25 7.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.23 157.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 112.065 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.863 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.96 159.99 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.969 179.203 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.38 129.67 52.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.232 0.539 . . . . 0.0 111.869 -174.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -109.0 117.2 33.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.358 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -89.44 115.78 27.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.015 0.436 . . . . 0.0 111.272 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -132.7 99.3 4.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.62 173.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.77 -129.07 27.11 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.919 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -87.6 -5.17 58.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -107.42 141.47 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.568 . . . . 0.0 111.746 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -114.17 117.56 31.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.506 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 89.0 m-85 -89.51 125.91 35.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.385 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 31.6 m-85 -99.77 145.5 27.63 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.449 0.642 . . . . 0.0 110.348 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.444 ' HE ' ' HB3' ' A' ' 69' ' ' GLU . 31.4 ptt180 -144.4 170.54 15.82 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.734 -173.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.82 127.96 31.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 172.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.863 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -53.17 -46.96 69.16 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.386 0.429 . . . . 0.0 111.891 -172.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.86 159.5 27.62 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.808 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -22.0 65.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.305 0.574 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.47 -48.69 78.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.423 174.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.72 -35.67 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.464 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.4 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.921 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -75.71 -24.95 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.452 HD11 HG23 ' B' ' 93' ' ' VAL . 9.3 tt -65.38 -45.75 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.561 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 60.5 t80 -64.15 -41.61 97.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.009 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.6 -36.64 84.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.728 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.11 -48.55 73.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.529 ' HA ' HG11 ' A' ' 96' ' ' VAL . 26.6 m -65.33 -28.72 45.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.672 0.273 . . . . 0.0 111.018 -177.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.632 ' HA ' HD22 ' B' ' 11' ' ' LEU . 55.9 mt-30 -64.28 -46.08 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.32 . . . . 0.0 110.166 175.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.2 t -65.58 -50.26 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' A' ' 93' ' ' VAL . 12.3 p -63.02 -30.76 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.703 0.287 . . . . 0.0 111.492 -175.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.482 ' HB2' ' HG ' ' B' ' 11' ' ' LEU . . . -84.99 -46.21 11.42 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.371 -0.206 . . . . 0.0 111.491 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.535 ' HB2' HD11 ' B' ' 11' ' ' LEU . 14.0 t70 -76.67 -41.19 46.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -173.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -170.6 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.508 ' HZ2' ' CG ' ' A' ' 32' ' ' ASP . 1.5 tmtp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.44 93.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.171 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.19 -28.23 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.632 HD22 ' HA ' ' A' ' 94' ' ' GLN . 7.0 tt -68.08 -51.06 50.77 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.554 ' HA ' HG23 ' B' ' 15' ' ' VAL . 84.8 mt -63.32 -34.42 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.74 -42.39 99.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.822 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.66 -43.46 59.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.741 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.554 HG23 ' HA ' ' B' ' 12' ' ' LEU . 33.4 m -69.89 -28.01 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.94 -33.06 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 56.0 ttp180 -63.27 -44.37 95.3 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.082 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.419 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 96.7 t -60.8 -51.85 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.27 -30.23 76.91 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.405 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -64.76 -35.19 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.92 0.39 . . . . 0.0 110.37 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.459 ' HB3' HD22 ' B' ' 62' ' ' LEU . . . -77.27 -29.36 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 91.2 mt -72.9 -35.34 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.3 92.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.731 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -176.01 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.932 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 -55.7 4.41 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.795 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.78 -13.29 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.975 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.1 -18.82 62.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -65.02 -28.32 69.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.69 -47.08 90.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.945 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.847 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.44 -45.89 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.835 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.06 -43.91 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.544 HD13 HG11 ' B' ' 68' ' ' VAL . 54.0 mt -78.17 -5.97 53.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.884 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.78 4.01 54.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 110.177 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -113.92 8.58 17.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.816 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.92 -160.05 26.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.599 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.54 127.72 54.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -123.25 142.34 51.03 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.176 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.417 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -72.27 155.28 40.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.964 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.75 -42.1 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.442 0.464 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.495 ' HG2' HD22 ' B' ' 52' ' ' LEU . 35.4 mt-10 -60.58 -41.2 94.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.096 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.21 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' B' ' 79' ' ' TYR . 72.1 mt -59.43 -45.26 93.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.401 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.05 -52.52 64.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.732 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.0 m -60.18 -48.7 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.5 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.95 76.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.137 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -87.04 -21.51 26.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.663 0.268 . . . . 0.0 111.396 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.49 66.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.074 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.1 mtm -107.66 123.6 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -56.28 155.87 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.212 0.32 . . . . 0.0 111.079 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . 0.495 HD22 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -45.67 -47.5 15.02 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.6 m -60.26 -45.4 93.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.009 0.433 . . . . 0.0 110.929 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -67.37 -40.96 85.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.742 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.94 -50.47 70.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' SER . . . . . 0.528 ' HA ' HD12 ' B' ' 59' ' ' LEU . 21.0 p -66.43 -26.38 67.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.379 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.87 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.925 0.393 . . . . 0.0 110.258 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -69.5 -37.05 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.473 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' B' ' 56' ' ' SER . 92.8 mt -58.97 -46.71 87.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.679 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -62.95 -37.53 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.893 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.54 94.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' B' ' 21' ' ' ALA . 90.8 mt -71.63 -35.92 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -68.02 -36.77 80.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 45.5 t -64.65 -28.57 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.447 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.475 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -75.16 -27.75 63.49 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.745 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.49 20.87 11.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.136 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.63 -54.18 4.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.156 0.503 . . . . 0.0 111.302 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.544 HG11 HD13 ' B' ' 34' ' ' LEU . 32.3 m -115.55 164.66 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.147 0.498 . . . . 0.0 112.001 -173.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.55 172.86 10.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.924 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.89 129.81 24.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.24 155.44 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.757 0.313 . . . . 0.0 110.556 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -91.75 133.54 35.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.073 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -139.89 97.35 3.23 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.51 -108.12 2.36 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.642 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 39.6 m -104.27 -22.3 13.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.895 0.378 . . . . 0.0 111.025 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -109.98 157.64 19.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 0.0 111.627 -172.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -99.25 143.77 29.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.187 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.29 129.99 56.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.327 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.514 ' HB2' HD12 ' B' ' 44' ' ' ILE . 28.5 m-85 -101.16 151.5 21.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.142 0.496 . . . . 0.0 110.99 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.505 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 33.4 ttm180 -161.67 164.26 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.505 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 49.1 mm -59.35 140.49 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 173.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.15 -47.63 62.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.49 -171.43 38.03 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.395 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -37.96 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.805 0.442 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' B' ' 86' ' ' VAL . 0.4 OUTLIER -52.77 -65.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.858 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.476 HG22 ' OD1' ' B' ' 85' ' ' ASP . 63.4 t -63.64 -34.01 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.242 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.3 78.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.707 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -73.12 -21.79 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.13 -60.1 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -59.49 -36.2 75.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.075 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.616 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -59.37 -49.71 76.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.344 . . . . 0.0 110.592 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.452 HG23 HD11 ' A' ' 89' ' ' LEU . 76.9 t -64.11 -41.82 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.043 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -24.39 60.88 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.626 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.616 HG21 ' O ' ' B' ' 91' ' ' ALA . 42.4 t -65.93 -50.34 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.532 0.206 . . . . 0.0 110.909 176.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -21.78 28.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.331 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 14' ' ' GLN . . . -88.39 -15.51 35.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.395 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 26.4 t70 -92.94 -65.38 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -1.78 52.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -169.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.372 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.603 0.239 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' HZ1' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -66.29 -34.23 77.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.355 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.51 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.5 67.82 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.11 -50.35 48.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.883 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.81 -28.19 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.99 -40.93 95.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.24 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.403 HE22 ' HD2' ' A' ' 17' ' ' ARG . 24.1 tp60 -69.92 -40.51 75.51 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.237 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.11 -41.99 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.61 ' HB1' ' HB2' ' B' ' 24' ' ' ASN . . . -60.03 -42.69 94.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.06 177.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 23.0 ttm-85 -61.03 -38.41 86.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.674 0.273 . . . . 0.0 110.929 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.579 HG12 HD13 ' A' ' 67' ' ' LEU . 76.5 t -70.42 -50.02 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.72 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.05 97.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.074 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.96 -32.29 73.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.869 0.366 . . . . 0.0 110.684 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.73 50.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.427 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.54 -35.62 60.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.52 103.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.325 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -175.76 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.911 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . 103.66 -53.96 0.7 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.337 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -70.75 -37.65 73.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -67.56 -17.78 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD11 ' HA2' ' A' ' 25' ' ' GLY . 89.7 mt -72.39 -33.93 67.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.129 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -67.68 -30.13 69.58 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 109.793 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.501 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.1 mt -67.52 -44.35 86.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.984 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.79 -39.22 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.48 -40.15 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.975 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.51 -43.88 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 58.3 mt -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.197 -176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -9.68 58.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.673 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -104.21 4.21 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.33 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.04 154.91 6.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.664 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.723 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 8.4 pt-20 -75.26 126.44 31.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.224 0.535 . . . . 0.0 110.556 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -121.26 151.12 40.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 150.75 42.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.69 -41.81 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.422 ' HG2' HD22 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.11 -43.04 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.072 177.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.34 -40.84 57.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.822 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -57.29 -49.95 78.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.533 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.91 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.903 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -60.57 -49.47 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.31 86.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.419 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 27.2 p -84.44 -14.46 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 0.0 111.559 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.67 35.63 16.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.736 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 24.0 ptp -134.1 178.25 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -99.02 162.98 12.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.651 0.262 . . . . 0.0 110.61 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD22 ' HG2' ' A' ' 42' ' ' GLU . 8.7 mp -61.68 -37.98 86.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.535 -175.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.8 m -57.35 -49.43 76.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 111.172 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -69.13 -46.5 67.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.937 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.4 78.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.343 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -65.76 -36.51 83.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.805 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.89 85.73 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.355 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.97 -46.19 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.237 176.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' A' ' 79' ' ' TYR . 87.5 mt -61.75 -40.65 95.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.948 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.14 -41.51 98.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.15 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 0.0 110.388 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.62 -38.78 92.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.337 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.37 -43.16 86.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.6 m -68.62 -27.07 65.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.934 0.397 . . . . 0.0 110.721 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -71.65 -30.47 66.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.456 171.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.16 18.3 10.6 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.434 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 18' ' ' VAL . 10.9 mp -89.18 -45.18 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.33 155.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -117.9 164.7 14.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.104 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.44 129.33 49.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.005 0.431 . . . . 0.0 111.296 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -106.18 111.68 24.4 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 72' ' ' ARG . 43.5 ttm105 -83.85 97.76 9.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 109.657 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.98 103.57 13.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.39 -114.86 7.06 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.849 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -108.12 16.29 23.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.428 0.633 . . . . 0.0 110.278 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -120.87 146.14 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.213 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -110.97 115.79 30.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.011 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.1 m-85 -102.42 139.08 38.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.933 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.499 ' O ' HD23 ' A' ' 34' ' ' LEU . 26.9 m-85 -118.48 146.26 44.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.024 0.44 . . . . 0.0 111.185 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.723 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 10.3 ttp180 -159.21 160.83 35.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.211 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.97 129.4 13.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 O-C-N 123.201 0.313 . . . . 0.0 110.483 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.79 -59.47 4.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.136 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -127.18 170.27 18.91 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.784 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.81 -29.61 70.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.21 0.528 . . . . 0.0 110.144 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.628 ' HB2' HG23 ' B' ' 96' ' ' VAL . 2.0 p-10 -58.3 -49.1 78.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.345 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 67' ' ' LEU . 58.1 t -66.96 -40.61 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.86 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.75 90.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.678 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 88' ' ' ARG . 45.9 mtp180 -68.49 -35.11 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.756 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.04 -52.53 64.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.185 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.74 -35.52 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -67.66 -43.33 80.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.706 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.472 ' O ' HG22 ' A' ' 96' ' ' VAL . 61.9 tp -58.17 -55.47 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.51 -30.97 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.0 -46.62 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.308 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 91' ' ' ALA . 91.2 t -62.44 -41.82 93.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.791 0.329 . . . . 0.0 110.304 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 92' ' ' LEU . 84.7 t -56.62 -53.38 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.472 176.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.58 -49.06 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.782 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.19 -53.88 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.42 -174.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.897 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.9 tttp . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.203 0.525 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.33 67.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.526 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.97 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.81 -42.82 60.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.822 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.05 -33.9 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.524 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . 0.558 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 12.4 t70 -62.67 -47.35 84.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 176.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.78 -45.52 82.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.004 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.38 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.077 0.465 . . . . 0.0 110.292 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . 0.512 ' HB3' ' HE3' ' B' ' 20' ' ' LYS . . . -62.61 -39.49 93.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.757 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 55.1 mtt180 -58.43 -45.7 87.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 110.645 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.112 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.02 94.12 Favored Glycine 0 C--O 1.223 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.512 ' HE3' ' HB3' ' B' ' 16' ' ' ALA . 93.3 mttt -67.95 -37.73 81.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.173 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.619 ' HB1' HD22 ' B' ' 62' ' ' LEU . . . -78.07 -42.29 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 0.0 110.646 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.472 HD23 HD22 ' B' ' 28' ' ' LEU . 0.5 OUTLIER -92.28 26.11 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.71 -78.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.405 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.61 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 3.8 p-10 -165.22 167.63 17.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.636 -174.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.57 20.8 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.055 170.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.429 ' O ' HG13 ' B' ' 30' ' ' ILE . 9.2 mtm180 -65.43 -22.53 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.118 -0.541 . . . . 0.0 111.346 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.2 -39.05 71.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.197 0.522 . . . . 0.0 110.469 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.472 HD22 HD23 ' B' ' 22' ' ' LEU . 16.8 mt -78.91 -29.14 44.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.704 -175.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.17 -34.33 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' B' ' 50' ' ' MET . 68.1 mt -64.55 -45.05 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.25 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.07 -42.4 94.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.82 -28.55 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.3 tp -79.68 -38.52 33.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 82.0 mt -71.63 -17.41 62.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.43 -5.38 42.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.2 0.524 . . . . 0.0 110.563 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -96.78 1.93 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.98 -129.06 3.63 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.761 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . 0.522 ' HB2' ' HD2' ' B' ' 80' ' ' ARG . 35.7 tt0 -133.22 117.27 17.22 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -131.1 146.24 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.837 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -74.77 154.46 38.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 77' ' ' GLN . 41.2 t -51.96 -42.76 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 O-C-N 123.484 0.49 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.01 -47.1 81.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.517 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.45 89.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.426 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.0 mt -60.75 -49.75 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.369 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' B' ' 50' ' ' MET . . . -58.41 -47.27 84.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.176 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.6 m -61.15 -49.57 76.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.007 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.86 88.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.904 -176.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 18.0 p -80.8 -17.51 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.785 0.326 . . . . 0.0 111.65 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 35.35 49.29 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -174.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.534 ' O ' ' HB2' ' B' ' 45' ' ' ALA . 28.0 ttp -125.39 143.26 51.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -75.41 155.81 35.99 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.473 -0.091 . . . . 0.0 110.972 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.16 -47.26 45.87 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -60.04 -46.86 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.072 0.463 . . . . 0.0 111.143 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' THR . . . . . 0.427 ' HB ' ' HG3' ' B' ' 50' ' ' MET . 3.7 m -67.55 -43.5 80.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.18 -52.17 60.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.771 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.4 p -61.86 -36.69 81.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.676 0.274 . . . . 0.0 111.135 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.11 87.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.668 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -66.16 -37.21 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.772 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.423 HD23 HG23 ' B' ' 30' ' ' ILE . 78.6 mt -64.08 -42.6 96.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.159 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.66 -36.49 78.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.644 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.74 79.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.619 HD22 ' HB1' ' B' ' 21' ' ' ALA . 81.8 mt -62.83 -39.33 94.03 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.705 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' B' ' 68' ' ' VAL . 50.2 tttm -65.37 -46.34 80.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 37.8 m -67.42 -25.76 66.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.086 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.79 -29.14 67.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.577 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.99 11.38 30.17 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.743 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.534 ' HA ' HG22 ' B' ' 86' ' ' VAL . 10.8 mp -82.93 -48.25 10.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.51 -175.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 81' ' ' ILE . 28.2 m -132.59 156.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.379 . . . . 0.0 111.168 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -122.43 166.0 15.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.251 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.81 136.27 49.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 71' ' ' ARG . 35.5 ttt180 -117.56 145.66 44.12 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -128.81 125.51 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.013 -0.675 . . . . 0.0 112.311 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.441 ' HB2' ' HE2' ' B' ' 78' ' ' TYR . 70.5 mt-10 -122.12 108.95 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.742 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 -97.51 0.94 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.765 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -129.59 2.95 5.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.695 0.284 . . . . 0.0 110.967 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -94.56 130.9 40.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 111.003 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . 0.416 ' O ' HG23 ' B' ' 41' ' ' VAL . 52.0 tt0 -102.21 109.14 20.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.849 -178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.624 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 72.6 m-85 -92.44 151.91 19.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.274 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -125.6 148.05 49.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.484 173.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' B' ' 38' ' ' GLU . 55.3 ttt180 -163.61 156.82 18.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.649 -177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . 0.503 ' HA ' HG11 ' B' ' 68' ' ' VAL . 63.4 mt -58.34 131.69 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.56 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.102 -173.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.86 156.79 21.29 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.395 -0.907 . . . . 0.0 113.255 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -58.14 -34.02 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.998 0.519 . . . . 0.0 110.578 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.78 -50.64 65.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.484 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' B' ' 67' ' ' LEU . 60.1 t -69.55 -41.68 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.941 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' B' ' 81' ' ' ILE . . . -60.9 -46.29 91.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.968 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -71.63 -29.01 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.044 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 tt -69.37 -47.42 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.43 -35.67 81.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.055 0.455 . . . . 0.0 110.16 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.474 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -67.04 -44.45 80.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . 0.458 ' O ' HG22 ' B' ' 96' ' ' VAL . 9.1 tt -60.7 -49.24 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.66 -30.85 51.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 110.707 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.91 -41.09 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 91' ' ' ALA . 90.3 t -62.28 -40.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.343 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . 0.628 HG23 ' HB2' ' A' ' 85' ' ' ASP . 98.6 t -55.47 -46.53 78.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.733 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.26 77.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.042 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.92 -34.96 78.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -76.65 -49.89 15.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.311 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 . . . . . 0 C--N 1.33 -0.247 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.8 ttm180 . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -62.0 -44.58 96.43 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.003 0.43 . . . . 0.0 110.09 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.29 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.151 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . . . -72.97 -21.48 60.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.248 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 92.6 mt -73.77 -47.34 39.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.002 0.429 . . . . 0.0 109.983 177.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.82 -33.22 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.559 0.695 . . . . 0.0 109.589 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.414 ' HB3' ' HA ' ' A' ' 10' ' ' ALA . 7.3 t70 -64.72 -38.92 92.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.475 173.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -67.09 -49.07 66.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.998 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG12 HG23 ' B' ' 93' ' ' VAL . 33.7 m -67.24 -27.07 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.355 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -61.67 -42.2 98.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.496 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.5 HG13 HD13 ' A' ' 67' ' ' LEU . 60.5 t -66.35 -50.42 67.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.404 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.92 -31.06 79.55 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.598 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.54 -44.27 87.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.623 0.249 . . . . 0.0 110.842 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -26.58 63.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.244 0.545 . . . . 0.0 110.413 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 tp -74.36 -31.02 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.761 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.01 16.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -169.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.56 -34.32 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.033 0.444 . . . . 0.0 110.008 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -65.56 2.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.378 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -68.34 -22.88 64.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.172 0.486 . . . . 0.0 111.24 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HB3' HD21 ' A' ' 62' ' ' LEU . 98.9 mtt180 -71.78 -20.58 61.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.122 0.487 . . . . 0.0 110.016 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -80.48 -25.02 39.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.555 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -65.26 -33.23 75.49 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.224 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 62.0 mt -65.06 -44.36 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.086 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 67' ' ' LEU . 91.8 mt -63.29 -41.38 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 177.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.7 -37.56 71.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.629 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.517 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 51.8 tp -77.1 -44.87 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.26 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 75.4 mt -73.88 -3.23 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.712 0.291 . . . . 0.0 111.677 -175.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.23 65.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.331 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 10.7 pt20 -84.24 -16.67 42.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -175.29 23.89 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.49 131.24 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.346 0.573 . . . . 0.0 110.366 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -115.16 147.87 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.21 150.7 47.76 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.2 t -52.6 -40.64 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 52' ' ' LEU . 4.0 tm-20 -59.35 -44.03 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.455 177.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.87 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.063 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.94 -49.58 78.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.018 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.06 62.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.147 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 m -61.98 -46.06 90.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.5 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.38 66.53 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.0 p -95.63 -11.31 27.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.366 . . . . 0.0 111.449 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.44 35.27 29.84 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.158 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -125.32 158.27 34.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.1 159.47 30.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.874 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mm? -56.16 -42.06 76.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 p -67.56 -47.17 70.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.014 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 m -61.72 -48.37 81.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.967 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.53 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.087 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.5 m -59.79 -38.21 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.692 0.282 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.54 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 58' ' ' ASN . 1.0 OUTLIER -79.89 -37.32 35.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.675 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.85 -46.57 87.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.284 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.68 -32.41 74.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.35 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.393 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 27' ' ' ARG . 80.5 mt -65.97 -33.33 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -69.99 -34.4 73.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.839 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.5 m -69.97 -26.04 63.91 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.116 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.49 -16.34 73.84 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.831 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 21.42 49.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.439 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.5 HD13 HG13 ' A' ' 18' ' ' VAL . 9.5 mp -91.52 -33.52 15.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.62 152.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 0.0 111.525 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.674 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 1.8 tm-20 -124.47 177.34 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.384 176.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.23 113.54 18.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 111.523 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -109.22 109.0 19.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.724 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -90.98 139.37 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.041 0.448 . . . . 0.0 111.045 -176.856 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -135.29 115.65 13.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.399 -0.818 . . . . 0.0 108.96 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.82 -112.51 4.13 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.515 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -113.3 -4.94 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.167 0.508 . . . . 0.0 110.512 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -100.87 146.48 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 7.9 tt0 -113.15 123.6 50.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.059 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 27.7 m-85 -103.66 136.85 42.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.156 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -107.15 140.63 39.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.038 0.447 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -152.92 161.46 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -46.48 130.55 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 O-C-N 123.463 0.477 . . . . 0.0 110.406 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -56.21 -36.07 68.01 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.58 0.55 . . . . 0.0 112.392 -171.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -164.34 169.78 39.28 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.084 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.88 -23.33 67.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.849 0.356 . . . . 0.0 110.308 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -57.45 8.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.136 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.4 t -70.14 -35.74 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.6 77.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -71.09 -30.8 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.49 -49.82 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.72 -36.82 84.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.475 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -65.47 -46.1 81.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.603 176.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.469 ' O ' HG21 ' A' ' 96' ' ' VAL . 48.9 tp -63.02 -48.91 76.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.373 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.72 -28.75 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.624 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.55 -43.16 90.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 91' ' ' ALA . 74.7 t -59.07 -41.81 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.619 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 92' ' ' LEU . 61.8 t -53.63 -48.27 59.96 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.058 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.15 -47.75 33.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.49 -61.78 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.521 -172.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -171.136 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 N--CA 1.462 0.156 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.25 75.98 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -33.24 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.412 ' O ' HG22 ' B' ' 15' ' ' VAL . 4.0 mm? -74.7 -39.48 61.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.384 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.24 -37.02 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.16 -36.91 84.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.143 0.497 . . . . 0.0 110.168 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . 0.613 HE22 ' HD2' ' B' ' 17' ' ' ARG . 26.0 tp60 -67.21 -39.29 86.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.565 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 11' ' ' LEU . 68.8 t -66.89 -38.57 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.206 0.527 . . . . 0.0 109.947 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.66 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.779 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . 0.613 ' HD2' HE22 ' B' ' 14' ' ' GLN . 20.4 ttm-85 -60.6 -51.9 67.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.451 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.41 -31.44 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.58 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.96 87.02 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.581 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -63.49 -45.93 88.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.592 0.234 . . . . 0.0 110.647 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.05 -31.43 72.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -73.31 -26.85 61.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.16 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.38 64.85 5.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . 0.521 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 41.8 t30 -173.71 110.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 171.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . 0.522 ' O ' ' HG3' ' B' ' 29' ' ' GLN . . . -54.66 -35.9 58.19 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.647 -176.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 26' ' ' ARG . 0.2 OUTLIER -59.51 -37.88 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.938 0.369 . . . . 0.0 111.711 -178.331 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.525 ' HG2' ' OD1' ' B' ' 58' ' ' ASN . 22.3 mtm180 -81.36 -23.65 37.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.499 . . . . 0.0 110.041 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 81.1 mt -75.35 -22.73 57.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.656 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' B' ' 25' ' ' GLY . 27.2 mt-30 -62.39 -28.65 69.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.48 . . . . 0.0 110.543 176.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.436 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.5 mt -71.8 -46.89 59.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.905 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.88 -33.8 76.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.309 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.05 -43.38 91.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.199 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 60.2 tp -70.22 -41.12 74.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.963 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 84.8 mt -66.39 -25.55 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.217 -178.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.33 62.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.539 . . . . 0.0 110.377 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -103.49 8.63 37.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.913 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.58 150.28 6.8 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.62 146.13 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ARG . . . . . 0.519 ' HG3' ' HB3' ' B' ' 43' ' ' ALA . 0.0 OUTLIER -143.38 158.41 43.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.45 -170.159 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.56 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -88.64 161.81 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.01 -48.34 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.463 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.25 -46.28 88.92 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.757 0.313 . . . . 0.0 110.973 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . 0.519 ' HB3' ' HG3' ' B' ' 39' ' ' ARG . . . -68.29 -38.53 81.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.0 mt -61.91 -49.71 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.97 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.957 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -63.33 -43.02 98.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.644 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.09 74.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.511 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 27.0 p -89.07 -7.92 54.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.386 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.18 35.56 60.61 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.014 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.4 mtm -122.01 169.46 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -85.61 154.42 21.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.033 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.51 -53.89 48.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -66.13 -26.81 67.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.239 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 35.6 m -74.59 -36.88 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.008 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.69 85.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.4 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 34.6 p -65.62 -32.92 74.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.48 96.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.069 0.461 . . . . 0.0 110.79 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.525 ' OD1' ' HG2' ' B' ' 27' ' ' ARG . 37.5 m-80 -68.16 -38.85 82.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.77 -36.23 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.617 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -59.75 -42.59 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.779 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.602 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.53 -33.81 69.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' B' ' 69' ' ' GLU . 23.6 tptp -68.22 -48.06 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.969 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 17.8 p -69.45 -27.56 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.283 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.21 -30.5 64.99 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.919 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 30.08 7.82 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.743 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -95.97 -30.47 13.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.541 0.21 . . . . 0.0 111.429 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' VAL . . . . . 0.424 ' O ' ' HD2' ' B' ' 63' ' ' LYS . 27.5 m -134.99 162.9 37.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLU . . . . . 0.569 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 80.6 mm-40 -123.13 173.16 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.404 173.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.86 147.79 52.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.923 0.392 . . . . 0.0 111.362 -176.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -129.57 130.15 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -91.95 112.97 25.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.673 0.273 . . . . 0.0 110.279 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -127.67 110.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.472 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.68 4.34 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.798 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 m -104.06 -16.81 15.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.459 0.647 . . . . 0.0 110.291 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -108.19 152.18 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.177 -171.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -111.76 124.91 53.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.576 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 35.9 m-85 -98.22 150.9 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.429 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -125.51 142.69 51.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -147.33 167.94 23.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.161 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.25 139.67 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 123.201 0.313 . . . . 0.0 110.171 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.569 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -62.68 -27.41 69.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -172.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.34 174.13 44.34 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.53 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 24.7 tp10 -65.65 -36.82 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 110.734 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ASP . . . . . 0.423 ' CB ' HG22 ' A' ' 96' ' ' VAL . 1.1 m-20 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.234 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.56 -36.46 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.81 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.355 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 21.9 mmm180 -65.45 -37.88 88.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.243 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.06 -52.24 66.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.35 -38.8 90.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . 0.457 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -68.09 -46.3 71.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.41 -48.82 73.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . 0.513 HG23 HG12 ' A' ' 15' ' ' VAL . 8.0 p -65.02 -29.36 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 110.628 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -67.41 -40.6 85.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.184 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.457 HG21 ' O ' ' B' ' 91' ' ' ALA . 84.6 t -62.89 -44.92 99.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.17 176.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.43 -43.66 83.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.83 42.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.97 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.81 -47.0 77.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.745 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -63.11 -61.02 2.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.001 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -168.354 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttp . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.44 0.162 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.97 113.29 2.02 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.08 -115.02 5.55 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.604 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -172.69 139.71 0.94 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -94.37 106.75 18.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.309 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -96.2 8.9 42.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.849 0.357 . . . . 0.0 110.827 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -63.45 -17.28 62.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.91 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.167 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.8 -30.37 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.59 -25.22 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.0 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' O ' HG21 ' A' ' 15' ' ' VAL . 7.9 tt -73.17 -43.79 60.91 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.412 HD22 ' HB3' ' B' ' 28' ' ' LEU . 86.0 mt -65.05 -32.98 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.255 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -57.64 -43.98 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.451 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.74 -39.36 80.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 11' ' ' LEU . 95.1 t -63.26 -44.78 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.38 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.34 -32.18 73.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.97 -50.46 68.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.478 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -67.36 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.528 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.32 94.74 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.04 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 93.3 mttt -61.54 -35.9 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.387 . . . . 0.0 111.031 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' HB3' HD23 ' A' ' 62' ' ' LEU . . . -69.89 -42.86 72.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.742 HD23 HG11 ' B' ' 15' ' ' VAL . 10.4 tt -73.96 -36.08 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.291 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 93.46 0.91 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.06 0.457 . . . . 0.0 111.135 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -170.48 -41.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.027 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.94 -58.73 2.45 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.537 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -68.96 -35.41 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.848 0.356 . . . . 0.0 110.758 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' CD ' ' HB2' ' A' ' 58' ' ' ASN . 24.8 mtm180 -72.19 -12.11 61.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.353 . . . . 0.0 110.903 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.672 HD21 ' HG ' ' A' ' 22' ' ' LEU . 93.9 mt -76.63 -22.16 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.028 0.442 . . . . 0.0 109.813 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.38 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.18 -49.35 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.188 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.567 HD11 HD21 ' A' ' 67' ' ' LEU . 94.9 mt -60.57 -43.51 97.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.24 -38.38 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.72 -35.14 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 HD23 HD13 ' A' ' 44' ' ' ILE . 65.5 mt -76.17 -25.94 55.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.288 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -16.45 64.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.278 0.561 . . . . 0.0 110.325 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' HB2' HH21 ' A' ' 39' ' ' ARG . 64.9 mt-30 -96.58 4.18 52.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.014 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.3 143.86 4.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.188 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 7.3 pt-20 -72.38 137.01 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.695 0.283 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH21 ' HB2' ' A' ' 36' ' ' GLN . 58.9 mtt-85 -140.23 157.43 45.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 111.112 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -77.46 159.42 29.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.91 -47.09 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -56.93 -41.05 77.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.816 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -47.59 58.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.354 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.452 HD13 HD23 ' A' ' 34' ' ' LEU . 75.5 mt -60.36 -49.51 83.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.943 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.65 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.306 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.8 m -62.92 -39.32 94.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.393 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.07 83.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.431 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -90.63 -6.64 54.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.986 0.422 . . . . 0.0 111.327 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.48 31.66 45.07 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.654 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.4 mtm -117.02 155.07 29.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -74.17 139.08 44.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.236 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.52 -41.1 72.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.181 0.301 . . . . 0.0 111.655 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 m -60.02 -47.81 84.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 m -68.72 -36.0 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.57 75.45 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 18.9 t -56.88 -38.5 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.166 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.85 -51.02 71.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.85 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.457 ' HB2' ' CD ' ' A' ' 27' ' ' ARG . 32.8 p30 -81.39 -21.06 39.25 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.701 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.59 -39.65 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 56' ' ' SER . 28.1 mt-30 -65.26 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.391 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' A' ' 21' ' ' ALA . 89.0 mt -71.54 -32.99 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -68.25 -46.39 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.488 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 p -65.92 -29.76 70.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.73 -32.17 77.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.752 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.28 15.39 17.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.567 HD21 HD11 ' A' ' 31' ' ' LEU . 8.4 mp -86.7 -49.07 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.709 0.29 . . . . 0.0 111.473 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.76 156.42 33.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.155 0.503 . . . . 0.0 111.506 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -130.29 170.44 14.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.407 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.76 142.77 51.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.892 0.377 . . . . 0.0 111.252 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -124.74 140.07 53.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.395 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.88 109.77 21.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.093 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.597 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 34.2 tt0 -109.05 102.68 11.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.16 -106.99 2.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.787 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -122.93 6.94 9.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.176 0.512 . . . . 0.0 110.914 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -104.18 143.3 33.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -101.74 106.33 17.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.785 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.597 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 75.0 m-85 -93.39 131.08 38.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.949 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -101.2 139.87 36.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.254 0.549 . . . . 0.0 110.618 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 28.2 ttt-85 -141.71 152.8 44.18 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.8 134.75 23.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.92 51.57 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.382 0.426 . . . . 0.0 111.706 -173.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.77 170.75 36.01 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.85 -18.92 65.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.209 0.504 . . . . 0.0 110.463 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.87 -55.4 27.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.999 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 67' ' ' LEU . 45.1 t -72.43 -36.21 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.593 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.246 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -69.15 -29.42 67.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.394 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.51 -44.6 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -66.19 -38.38 87.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.523 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.26 96.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.119 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.711 HD22 HD13 ' B' ' 89' ' ' LEU . 7.1 tt -61.6 -52.08 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.711 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.452 ' HA ' HG11 ' A' ' 96' ' ' VAL . 34.6 m -63.1 -31.51 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.66 -49.94 60.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.339 . . . . 0.0 110.222 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.31 -46.31 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.819 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 93' ' ' VAL . 10.0 p -64.34 -33.6 63.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.41 -42.21 54.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.795 0.331 . . . . 0.0 110.259 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.04 -53.02 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.754 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -75.1 -3.36 32.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -97.29 -40.91 8.52 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.476 173.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.52 -35.87 73.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.292 0.568 . . . . 0.0 109.666 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -103.31 62.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -78.06 91.19 4.25 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -78.11 136.74 37.93 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.099 -170.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -81.4 74.09 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -59.21 113.72 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.42 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -158.08 122.84 4.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.938 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.016 179.044 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.08 109.52 19.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.848 0.356 . . . . 0.0 110.688 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.27 -66.45 1.3 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.205 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -141.9 133.63 27.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.859 0.362 . . . . 0.0 110.566 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -158.29 109.31 2.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.501 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -86.11 84.85 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.192 0.52 . . . . 0.0 110.603 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -96.13 -23.09 16.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.349 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -64.62 -22.67 67.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.445 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.28 91.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.276 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.51 -32.16 72.18 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 110.919 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.401 ' O ' HG21 ' B' ' 15' ' ' VAL . 3.3 tm? -66.92 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.19 -30.53 67.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.065 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.7 -43.66 98.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.296 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -62.8 -40.22 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.701 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.742 HG11 HD23 ' A' ' 22' ' ' LEU . 81.4 t -66.35 -41.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.693 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.4 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -62.92 -32.12 73.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.023 0.44 . . . . 0.0 110.846 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -63.99 -49.65 71.64 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.682 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.471 HG13 ' O ' ' B' ' 65' ' ' GLY . 16.9 m -68.7 -27.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.886 0.374 . . . . 0.0 110.066 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -40.47 96.05 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.891 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 97.0 mttt -62.36 -40.64 97.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.91 0.386 . . . . 0.0 110.463 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -34.12 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.526 ' HA ' HD21 ' B' ' 28' ' ' LEU . 96.9 mt -85.01 -6.84 59.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.91 13.39 18.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.971 0.415 . . . . 0.0 111.204 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.497 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 29.7 m-80 -118.01 102.08 8.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.89 -40.41 93.1 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.698 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.11 -28.13 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.918 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.536 ' HB3' HD21 ' B' ' 62' ' ' LEU . 3.0 mtm180 -92.42 -20.75 20.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' B' ' 22' ' ' LEU . 76.9 mt -68.14 -35.17 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.346 176.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.96 -35.48 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 109.977 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.15 -38.24 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.407 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.76 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.64 -28.87 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.282 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -78.75 -43.36 25.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.879 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.67 -15.26 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.476 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.4 44.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.47 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -97.88 -8.18 28.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.51 165.45 12.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.056 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.724 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 0.0 OUTLIER -82.32 132.89 35.22 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.228 0.537 . . . . 0.0 110.211 178.307 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -141.07 150.21 42.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.136 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -73.02 155.96 39.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.029 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.31 -42.31 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.793 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -59.61 -44.68 93.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.664 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.42 88.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.89 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 67.3 mt -63.71 -47.74 89.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.72 68.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.163 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -61.06 -45.22 95.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.361 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.16 81.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.671 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -86.85 -18.5 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.807 0.336 . . . . 0.0 111.368 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.12 19.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.951 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 76.9 mtm -123.88 156.55 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 110.683 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -66.19 145.77 55.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.96 -42.65 94.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -64.21 -44.42 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.9 m -66.8 -40.75 88.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.82 96.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.568 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 55.9 m -57.74 -41.13 81.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.531 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.522 ' HA ' HH11 ' B' ' 27' ' ' ARG . 84.9 m-20 -59.28 -46.53 88.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.897 177.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.535 HD13 ' CD1' ' B' ' 79' ' ' TYR . 83.1 mt -64.96 -42.85 94.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.165 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.41 -41.15 93.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.767 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.05 91.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' B' ' 27' ' ' ARG . 94.5 mt -63.87 -39.98 95.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.544 . . . . 0.0 110.452 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.59 -35.27 78.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.13 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 38.9 m -69.48 -27.67 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.688 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.471 ' O ' HG13 ' B' ' 18' ' ' VAL . . . -80.64 -18.6 70.25 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.06 176.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.12 19.8 32.39 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.18 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' B' ' 86' ' ' VAL . 4.5 mm? -83.32 -46.5 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.676 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.18 159.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.68 159.84 25.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.404 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.3 109.22 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.909 0.385 . . . . 0.0 110.615 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -108.58 104.37 13.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -100.08 128.8 46.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.69 -172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.59 127.38 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.789 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.97 -115.45 6.53 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.191 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 p -115.8 11.66 15.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.992 0.425 . . . . 0.0 111.106 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . 0.481 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 52.1 mtt180 -114.15 143.56 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.886 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 28.9 tt0 -108.63 104.06 13.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.481 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 58.3 m-85 -91.4 133.41 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.535 ' CD1' HD13 ' B' ' 59' ' ' LEU . 51.5 m-85 -104.59 143.16 33.43 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.036 0.445 . . . . 0.0 110.004 174.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.724 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 13.3 ttt180 -152.6 154.2 34.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.924 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.36 131.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.15 -44.73 52.67 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.51 0.506 . . . . 0.0 112.013 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.78 164.74 33.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.795 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 12.9 pt-20 -58.47 -32.95 69.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 110.56 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.52 -44.08 93.27 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.953 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' B' ' 67' ' ' LEU . 40.2 t -69.4 -38.74 77.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.965 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.12 95.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 41.0 mtm-85 -66.83 -30.51 70.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.687 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.711 HD13 HD22 ' A' ' 92' ' ' LEU . 65.9 tp -67.49 -50.3 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.516 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.99 -38.73 92.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.313 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.465 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.58 -44.41 94.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.473 176.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.436 ' O ' HG23 ' B' ' 96' ' ' VAL . 57.4 tp -60.08 -52.68 64.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.708 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.78 -30.9 51.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.957 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.81 -42.53 81.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.919 0.39 . . . . 0.0 109.965 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 91' ' ' ALA . 70.4 t -65.6 -44.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.532 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 92' ' ' LEU . 97.2 t -60.49 -44.6 96.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.658 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.17 -54.41 46.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.518 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.23 -37.21 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.629 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -25.75 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.214 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.06 -10.33 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.914 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -79.41 90.28 5.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 57.09 96.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 O-C-N 124.141 0.901 . . . . 0.0 111.312 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -77.68 -8.78 58.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.988 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 65.45 -170.74 0.19 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.754 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -126.01 116.55 21.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.01 0.433 . . . . 0.0 111.109 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -97.19 107.23 19.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.235 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -119.29 19.58 12.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.737 0.304 . . . . 0.0 111.683 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 . . . . . 0 C--O 1.244 0.8 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.909 171.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.12 -40.13 28.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.259 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.81 -49.37 4.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.176 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 74.65 -35.68 0.3 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.69 0.796 . . . . 0.0 111.957 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -67.82 -28.07 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.028 0.442 . . . . 0.0 110.559 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.49 106.97 18.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.145 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.403 ' HD3' ' HA ' ' A' ' 7' ' ' ARG . 13.8 mmt180 -75.97 -19.97 58.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.434 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' HZ1' ' CG ' ' B' ' 32' ' ' ASP . 29.1 mtpp -55.68 -45.43 77.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.292 173.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.03 82.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.99 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 15' ' ' VAL . 57.5 tp -76.09 -50.97 13.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.42 -35.06 79.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.42 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.238 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.55 -41.92 75.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.169 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG11 HD22 ' B' ' 22' ' ' LEU . 63.0 t -62.24 -42.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.078 176.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -67.28 -27.34 67.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.17 -51.79 58.97 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.38 -40.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.639 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.16 -39.12 94.07 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.854 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 60.1 mttp -64.92 -33.36 75.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.966 0.383 . . . . 0.0 110.511 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' HB3' ' HA3' ' A' ' 65' ' ' GLY . . . -74.71 -19.36 60.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.03 -30.3 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.043 0.449 . . . . 0.0 110.444 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 73.6 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -139.5 -164.11 1.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.492 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.1 -116.22 2.96 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.153 -1.023 . . . . 0.0 112.311 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -69.46 -3.53 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.49 -34.09 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.185 0.517 . . . . 0.0 110.546 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.569 HD13 HG22 ' B' ' 15' ' ' VAL . 67.6 mt -70.31 -16.0 62.95 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.547 -174.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.04 -32.39 73.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 0.0 109.659 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.431 HG22 HD23 ' A' ' 59' ' ' LEU . 59.7 mt -69.51 -39.45 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.659 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.94 -47.62 85.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.33 -34.49 78.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.59 -39.04 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.643 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.3 -13.92 59.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -27.11 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.61 -25.49 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.993 0.425 . . . . 0.0 110.779 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.27 179.62 35.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.67 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.579 ' HB3' ' HD3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -74.03 145.11 44.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.881 0.372 . . . . 0.0 110.69 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -141.71 145.09 34.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -80.88 150.27 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.41 HG12 ' HB3' ' A' ' 56' ' ' SER . 70.4 t -53.85 -42.33 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 111.332 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.488 ' HA ' HD22 ' A' ' 52' ' ' LEU . 1.7 tm-20 -57.6 -45.44 85.31 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.279 0.562 . . . . 0.0 110.335 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.14 -43.14 68.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 40' ' ' ALA . 78.5 mt -58.24 -50.49 78.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.79 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.98 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.173 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.7 m -60.6 -49.71 76.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.45 86.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.934 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.8 p -83.82 -18.8 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.652 0.263 . . . . 0.0 111.516 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.06 33.31 12.28 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.487 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.8 mtm -124.79 169.52 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -80.02 159.43 26.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.031 0.443 . . . . 0.0 111.516 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' A' ' 42' ' ' GLU . 86.6 mt -60.26 -52.36 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.015 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -40.72 78.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.941 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -63.09 -48.13 79.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.756 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.45 90.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.101 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HB3' HG12 ' A' ' 41' ' ' VAL . 10.5 p -63.35 -36.42 83.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.33 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.0 76.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.728 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 94.9 m-20 -60.77 -42.91 98.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.148 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -64.99 -38.77 92.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.688 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.44 -31.27 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.802 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.53 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 78.4 mt -62.74 -36.93 84.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.682 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.08 -41.76 94.72 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.84 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -68.78 -20.83 64.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.658 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' ' 21' ' ' ALA . . . -87.8 -7.11 75.27 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.276 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.43 11.54 62.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.914 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HA ' HG11 ' A' ' 86' ' ' VAL . 4.4 mm? -77.09 -50.73 12.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG13 ' HA ' ' A' ' 81' ' ' ILE . 27.8 m -134.09 162.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.336 -174.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -119.09 158.44 25.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.971 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.82 116.05 30.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.775 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -99.65 104.38 16.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.606 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -100.73 107.82 19.52 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -125.08 107.7 11.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.222 0.534 . . . . 0.0 110.149 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.16 -121.36 7.57 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.301 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -103.57 -4.59 23.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.405 0.621 . . . . 0.0 109.941 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 10.5 mmp_? -101.57 138.94 37.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.676 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.178 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 63.4 m-85 -101.29 146.6 27.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CD1' HD11 ' A' ' 59' ' ' LEU . 22.7 m-85 -120.89 139.0 53.82 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.185 0.517 . . . . 0.0 110.94 175.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.579 ' HD3' ' HB3' ' A' ' 38' ' ' GLU . 13.6 tpt180 -135.55 149.15 49.36 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.645 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.429 ' HA ' HG13 ' A' ' 68' ' ' VAL . 41.8 mm -54.44 127.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.79 -52.72 55.62 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.686 0.616 . . . . 0.0 111.526 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.6 157.64 25.8 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.444 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.29 -16.1 63.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.82 -50.49 70.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 170.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.52 HG11 ' HA ' ' A' ' 67' ' ' LEU . 39.6 t -72.09 -34.08 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.478 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.12 92.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.11 -35.65 81.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.0 tt -60.76 -63.28 1.35 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.862 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.56 -37.54 87.71 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.485 0.183 . . . . 0.0 111.007 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -59.81 -48.73 80.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.317 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.1 tp -58.97 -49.2 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.385 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.759 HG13 HG11 ' B' ' 15' ' ' VAL . 93.1 t -54.97 -44.33 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.48 ' HG2' HD21 ' B' ' 11' ' ' LEU . 10.3 tt0 -69.88 -41.55 74.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.372 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 91' ' ' ALA . 80.4 t -65.86 -47.18 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.018 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.02 -39.23 77.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.994 0.426 . . . . 0.0 110.398 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' B' ' 14' ' ' GLN . . . -61.94 -44.99 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.841 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.586 ' HB2' HD23 ' B' ' 11' ' ' LEU . 16.2 t70 -62.06 -53.34 56.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.26 -19.49 63.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -106.18 -12.26 15.79 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.257 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.4 tp -78.49 -35.67 46.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 167.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.537 ' HB2' HH22 ' B' ' 7' ' ' ARG . 8.3 tp10 -63.47 127.5 31.59 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.77 172.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -121.09 160.9 22.71 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -60.65 104.15 0.32 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.886 -174.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -125.96 62.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.095 0.95 . . . . 0.0 110.282 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -132.91 -49.19 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.807 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -71.73 134.23 46.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.462 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.2 m170 . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.526 176.498 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.85 -45.16 5.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.05 45.91 0.47 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.592 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -89.42 -20.15 24.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.63 0.729 . . . . 0.0 109.623 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' B' ' 6' ' ' ASP . 58.3 m -148.49 160.56 42.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.897 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.606 ' OD1' ' HG3' ' B' ' 8' ' ' LYS . 15.3 t70 72.31 128.89 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.19 0.932 . . . . 0.0 110.904 -176.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.537 HH22 ' HB2' ' A' ' 102' ' ' GLU . 55.7 mtp85 -72.32 -49.81 31.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.601 -175.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.649 ' HA ' ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -64.45 -24.01 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -172.437 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.54 72.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.374 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -82.68 -23.57 34.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.457 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.649 ' HB2' ' HA ' ' B' ' 8' ' ' LYS . 7.0 mp -65.18 -37.77 88.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.34 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.562 ' HA ' HG23 ' B' ' 15' ' ' VAL . 98.7 mt -66.31 -25.04 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.776 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -76.34 -37.63 57.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.31 0.576 . . . . 0.0 109.61 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 14.0 mm100 -66.08 -49.98 65.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.811 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.759 HG11 HG13 ' A' ' 93' ' ' VAL . 28.9 m -67.07 -30.42 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 20' ' ' LYS . . . -66.08 -36.27 82.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.037 0.446 . . . . 0.0 110.417 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' O ' ' B' ' 64' ' ' SER . 7.5 ttp180 -71.9 -48.14 47.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.499 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' B' ' 15' ' ' VAL . 32.7 m -67.69 -35.71 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.077 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.52 -30.63 64.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.684 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' B' ' 16' ' ' ALA . 31.2 ttmt -65.8 -33.1 75.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.169 0.509 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.563 ' HB1' HD21 ' B' ' 62' ' ' LEU . . . -78.47 -38.06 41.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.861 ' HG ' HD23 ' B' ' 28' ' ' LEU . 7.8 tt -78.51 -13.12 59.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.582 -174.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.48 8.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.418 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 34.3 m-80 -122.55 122.11 38.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.722 0.296 . . . . 0.0 111.218 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -40.29 98.59 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.698 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.809 ' HA ' HE21 ' B' ' 29' ' ' GLN . 6.6 ptp85 -69.36 -14.02 62.69 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.615 -0.344 . . . . 0.0 111.417 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.533 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 97.4 mtt180 -93.17 -26.64 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.027 0.441 . . . . 0.0 110.029 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.861 HD23 ' HG ' ' B' ' 22' ' ' LEU . 96.0 mt -72.74 -31.07 64.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.809 HE21 ' HA ' ' B' ' 26' ' ' ARG . 46.7 mt-30 -59.57 -32.6 70.51 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 65.5 mt -66.31 -47.83 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.146 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.62 -41.85 98.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.458 ' CG ' ' HZ1' ' A' ' 8' ' ' LYS . 26.9 t70 -63.37 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.868 178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.464 ' HG ' ' HG3' ' B' ' 39' ' ' ARG . 55.1 tp -72.16 -39.4 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.845 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 79.1 mt -71.41 -26.11 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.4 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.417 0.627 . . . . 0.0 109.998 174.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -93.7 15.38 16.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.403 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.88 153.55 7.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.404 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.47 129.5 38.93 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.464 ' HG3' ' HG ' ' B' ' 33' ' ' LEU . 21.1 mmt180 -127.17 149.91 49.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -172.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.9 170.27 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.29 -55.06 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.451 0.47 . . . . 0.0 111.76 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.91 -40.48 84.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.74 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.18 -46.13 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.69 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.25 96.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.332 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.0 m -67.35 -46.04 74.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.3 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.745 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.498 ' HB ' ' HE1' ' B' ' 50' ' ' MET . 22.5 p -89.74 -11.76 41.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.654 0.264 . . . . 0.0 111.421 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.36 36.03 59.72 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.498 ' HE1' ' HB ' ' B' ' 48' ' ' THR . 71.0 mtm -125.51 170.62 11.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.585 0.231 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.74 160.25 28.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.902 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.61 -42.92 93.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -60.92 -48.18 83.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 177.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -59.62 -47.41 85.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.659 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -59.91 -44.74 94.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.391 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.231 0.539 . . . . 0.0 110.166 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.533 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 93.5 m-20 -68.23 -43.52 77.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.603 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 90.4 mt -59.83 -44.44 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.587 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -59.62 -46.32 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.298 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.13 92.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.563 HD21 ' HB1' ' B' ' 21' ' ' ALA . 98.7 mt -67.57 -32.71 73.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.545 ' HZ3' ' HA ' ' B' ' 69' ' ' GLU . 49.7 tttp -76.43 -35.13 58.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.716 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' SER . . . . . 0.469 ' O ' ' HD2' ' B' ' 17' ' ' ARG . 32.1 m -67.27 -28.35 67.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.441 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -73.72 -25.97 70.66 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.492 174.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.36 23.01 25.4 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.079 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.455 ' HA ' HG12 ' B' ' 86' ' ' VAL . 7.3 mp -91.7 -32.81 15.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -176.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.26 152.52 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 111.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.545 ' HA ' ' HZ3' ' B' ' 63' ' ' LYS . 41.8 mt-10 -131.39 163.9 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.732 176.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.527 ' HB1' ' CD2' ' B' ' 79' ' ' TYR . . . -136.99 163.35 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.093 0.473 . . . . 0.0 111.808 -175.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' B' ' 71' ' ' ARG . 9.4 ptp85 -128.73 151.3 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.635 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -96.07 117.04 29.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.74 0.305 . . . . 0.0 110.672 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -127.48 97.07 4.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.939 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.85 -125.12 10.95 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -174.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -90.91 -14.56 31.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.033 0.444 . . . . 0.0 110.548 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -94.52 158.61 15.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.669 0.747 . . . . 0.0 112.514 -174.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -131.75 127.65 37.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.398 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -105.84 126.97 52.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.31 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.527 ' CD2' ' HB1' ' B' ' 70' ' ' ALA . 55.2 m-85 -108.23 151.78 25.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.094 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -162.05 162.06 28.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.06 134.62 16.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.203 0.314 . . . . 0.0 110.446 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.62 -65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.712 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.31 149.53 18.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.012 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.1 OUTLIER -68.68 -27.03 65.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.732 0.301 . . . . 0.0 110.39 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 31.2 t70 -71.42 -31.54 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.216 0.532 . . . . 0.0 109.745 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.455 HG12 ' HA ' ' B' ' 67' ' ' LEU . 52.7 t -65.71 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 109.364 173.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.81 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.988 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 83.5 mtt-85 -65.46 -38.97 91.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.293 176.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 93' ' ' VAL . 7.2 tt -63.76 -47.92 79.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.103 178.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -63.1 -38.73 92.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.502 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -64.46 -43.05 95.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.368 177.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.49 -52.5 64.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.945 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.5 HG21 HD11 ' A' ' 89' ' ' LEU . 10.6 p -62.73 -32.89 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.873 0.368 . . . . 0.0 111.012 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -69.34 -41.18 76.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.502 HG21 ' O ' ' B' ' 91' ' ' ALA . 83.9 t -63.41 -44.17 98.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.435 177.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.55 -46.12 90.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.528 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 101' ' ' LEU . . . -64.29 -45.87 86.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.145 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.75 -48.65 76.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.541 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -93.54 -2.93 53.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.416 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' B' ' 97' ' ' ALA . 33.8 tp -64.74 -49.55 70.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.956 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.36 -8.47 59.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.219 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 50.1 m80 70.05 -65.5 0.31 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.371 0.669 . . . . 0.0 111.419 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -142.52 173.28 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.094 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.24 150.44 45.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.1 0.476 . . . . 0.0 110.837 176.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -75.44 107.64 7.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.631 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -131.46 129.95 41.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.228 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.044 175.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.7 mtm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.814 0.34 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.68 156.16 42.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.74 -59.62 2.97 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.404 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' HB3' ' OD1' ' A' ' 6' ' ' ASP . 12.6 mt-30 60.32 101.11 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.366 0.603 . . . . 0.0 112.103 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 m -95.27 11.77 31.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.602 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 4' ' ' GLN . 10.3 p-10 -82.11 62.59 5.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.927 0.87 . . . . 0.0 109.532 174.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -62.13 -27.66 69.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.117 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.418 ' HZ3' ' CG ' ' B' ' 32' ' ' ASP . 37.1 tttm -62.3 -29.43 70.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.038 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.66 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.722 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.23 -27.33 63.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.25 0.548 . . . . 0.0 110.574 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.1 mp -68.9 -30.82 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.643 176.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.99 -32.75 73.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.124 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -64.67 -38.26 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.038 0.446 . . . . 0.0 110.274 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.478 ' HB3' ' HB2' ' B' ' 97' ' ' ALA . 5.0 tp-100 -69.61 -41.27 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.968 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 11' ' ' LEU . 53.2 t -57.22 -41.82 78.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.85 79.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.391 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -68.38 -32.2 72.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 62.0 t -66.99 -50.61 62.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.15 94.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.381 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.77 -40.44 95.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 0.0 110.316 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . -68.1 -28.78 67.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.792 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.486 HD22 HD22 ' A' ' 67' ' ' LEU . 74.5 mt -90.2 2.84 54.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.51 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.39 14.09 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -137.62 124.15 20.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.678 0.275 . . . . 0.0 110.709 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.06 -39.61 97.38 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.412 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.19 -24.58 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 111.037 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 58' ' ' ASN . 37.6 ttm180 -80.37 -28.91 37.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.001 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.47 -22.34 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.265 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.63 -30.94 71.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.13 175.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.9 mm -63.96 -45.44 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.98 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.65 -38.63 91.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 17.2 t70 -62.84 -39.52 94.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 HD13 HG22 ' A' ' 44' ' ' ILE . 10.1 tt -71.28 -41.32 70.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -69.14 -21.67 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.79 -13.53 60.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.179 0.514 . . . . 0.0 110.376 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 55.5 mt-30 -92.61 -3.97 54.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.31 155.42 7.74 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.493 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 9.9 pt-20 -72.26 147.63 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.501 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -151.55 153.32 34.31 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.304 -170.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 155.57 39.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.25 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.6 t -50.31 -55.68 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.437 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HG2' HD23 ' A' ' 52' ' ' LEU . 52.7 mt-10 -61.95 -35.85 79.68 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 111.151 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . . . -67.49 -43.71 80.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.454 HG22 HD13 ' A' ' 33' ' ' LEU . 76.9 mt -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.244 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.32 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.07 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -59.34 -46.54 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.79 95.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.644 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.6 p -79.39 -20.12 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.65 15.88 55.91 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.233 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtm -105.44 168.47 9.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.592 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -84.44 167.25 16.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.481 HD23 ' HG2' ' A' ' 42' ' ' GLU . 10.5 mp -64.08 -38.47 91.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.432 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 p -59.8 -46.93 87.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.172 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.6 m -64.62 -46.01 84.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.786 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -62.15 -52.2 64.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.584 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.536 ' HA ' HD13 ' A' ' 59' ' ' LEU . 19.3 p -62.09 -36.4 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.777 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.63 -46.15 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.019 0.437 . . . . 0.0 110.699 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' HB3' ' HG3' ' A' ' 27' ' ' ARG . 89.9 m-20 -64.3 -36.77 85.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.687 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 56' ' ' SER . 94.1 mt -63.06 -49.5 74.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.949 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.04 -35.35 80.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.02 76.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.071 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.77 -33.08 74.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.972 0.415 . . . . 0.0 110.693 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -67.26 -41.52 85.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.755 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.54 -21.8 74.71 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.905 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.41 26.87 12.69 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.427 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.486 HD22 HD22 ' A' ' 22' ' ' LEU . 11.2 mp -101.23 -47.34 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.707 0.289 . . . . 0.0 111.754 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 m -117.1 152.88 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.235 0.54 . . . . 0.0 111.811 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -122.59 163.84 19.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.911 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -120.56 142.43 49.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.175 0.512 . . . . 0.0 112.053 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 71' ' ' ARG . 24.3 mtp180 -100.33 143.06 30.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.234 171.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.459 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 29.9 mtp-105 -121.86 96.68 5.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.981 0.42 . . . . 0.0 110.305 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.0 103.34 13.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.61 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.88 -107.09 1.91 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.192 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -111.89 0.86 16.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.3 mtt85 -97.6 139.9 32.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 111.257 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.459 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 28.0 mt-30 -117.84 117.2 28.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.336 176.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.475 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.9 m-85 -101.61 146.47 27.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.78 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -113.61 143.33 44.75 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.561 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 19.3 ttt180 -142.39 150.05 40.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.745 -170.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.2 mt -67.45 129.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.63 6.68 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 161.76 158.57 9.55 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.83 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 12.9 pt-20 -68.59 -15.58 63.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.881 0.34 . . . . 0.0 110.495 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -47.53 86.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.124 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.431 HG13 ' HG ' ' A' ' 67' ' ' LEU . 96.0 t -66.08 -41.45 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 175.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.47 85.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.198 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 65.8 mtt180 -65.72 -34.39 78.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.81 -50.93 71.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.77 -41.9 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.601 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -64.98 -41.36 95.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' O ' HG21 ' A' ' 96' ' ' VAL . 8.6 tt -63.95 -53.26 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.675 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.79 -31.02 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.65 -40.26 95.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 91' ' ' ALA . 74.2 t -62.32 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.046 0.45 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.55 HG23 HD12 ' B' ' 89' ' ' LEU . 60.5 t -60.85 -25.5 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.142 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 101' ' ' LEU . . . -90.96 -48.42 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 176.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.69 -47.68 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -171.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.83 -63.3 1.35 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.668 ' HA ' ' CD2' ' A' ' 103' ' ' HIS . 24.5 p80 -80.3 -1.1 39.5 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.788 -173.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 97' ' ' ALA . 51.8 tp -54.46 -42.93 71.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.833 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -95.86 33.03 1.74 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.963 0.887 . . . . 0.0 110.471 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.668 ' CD2' ' HA ' ' A' ' 100' ' ' HIS . 13.9 m-70 -109.89 28.64 8.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 170.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.597 ' HE1' ' HA ' ' A' ' 108' ' ' HIS . 14.5 t-80 -72.52 -7.5 50.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.037 -173.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.4 m80 70.08 -174.62 0.18 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.415 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -85.48 67.88 10.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.615 -176.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -168.52 166.21 12.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.899 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.597 ' HA ' ' HE1' ' A' ' 104' ' ' HIS . 11.2 p-80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.772 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.497 ' HE3' ' O ' ' B' ' 3' ' ' GLY . 14.3 tpt . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.927 0.394 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.58 -19.74 18.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.761 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.497 ' O ' ' HE3' ' B' ' 1' ' ' MET . . . -85.47 123.09 6.19 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.964 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -120.01 -1.42 10.4 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.9 m 64.8 91.69 0.08 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.729 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -61.28 111.58 1.8 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.745 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -68.61 -50.12 53.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.267 -165.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -78.58 -38.56 39.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.218 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.7 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.303 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.13 76.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.972 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.89 -42.5 69.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.328 0.585 . . . . 0.0 109.628 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.74 -32.83 72.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.41 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -33.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.02 -43.79 74.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.831 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.27 -41.21 86.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 121.307 0.575 . . . . 0.0 110.073 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -58.88 -37.1 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.934 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.01 -42.73 99.47 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.12 -48.97 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.369 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.59 -30.52 77.6 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.298 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -65.57 -34.29 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.89 -17.78 32.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.81 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.96 -7.63 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.352 0.596 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' B' ' 24' ' ' ASN . . . -82.44 145.44 29.84 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' B' ' 23' ' ' ALA . 0.9 OUTLIER 81.55 112.29 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.606 1.191 . . . . 0.0 110.773 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.96 -20.42 74.57 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.748 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -52.41 -42.99 64.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.97 0.385 . . . . 0.0 112.029 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' B' ' 27' ' ' ARG . 6.0 ptt180 -90.99 -10.21 43.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 111.196 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.91 -25.8 59.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.76 -29.42 69.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.146 173.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 70.7 mt -68.94 -48.74 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.492 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.27 -37.88 78.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.212 0.529 . . . . 0.0 110.244 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' A' ' 8' ' ' LYS . 23.2 t70 -64.68 -40.49 95.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.13 178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 56.4 tp -71.58 -39.2 70.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.732 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 56.8 mt -75.67 -12.8 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.83 -15.2 59.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.253 0.549 . . . . 0.0 110.071 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -98.97 4.84 47.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.274 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.53 172.65 13.14 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 10.4 pt-20 -85.37 139.2 31.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.895 0.378 . . . . 0.0 110.585 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -134.82 157.61 46.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.352 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -74.31 153.45 39.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.964 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.29 -43.9 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.07 -38.33 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.713 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.29 86.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.198 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 40' ' ' ALA . 74.6 mt -61.53 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.491 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.05 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.255 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -72.09 -49.04 39.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -28.81 70.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.909 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -88.03 -23.68 23.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.666 0.27 . . . . 0.0 111.429 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.5 35.61 22.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.252 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.3 mtm -126.45 161.24 28.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.76 140.3 58.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.834 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -53.03 -52.86 57.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.01 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 18.2 m -63.64 -40.82 97.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -66.0 -39.92 90.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.151 0.5 . . . . 0.0 110.668 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 31.5 m -59.84 -41.08 90.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.25 95.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.761 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.24 -33.81 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.76 -34.41 77.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -70.02 -37.59 75.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.285 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -39.51 87.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.025 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.732 ' HA ' ' HA3' ' B' ' 66' ' ' GLY . 91.5 mt -75.82 -6.58 51.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' B' ' 63' ' ' LYS . 38.4 ttmt -80.12 -70.36 0.52 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 169.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -58.48 -33.1 69.41 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.62 22.75 2.99 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.704 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.732 ' HA3' ' HA ' ' B' ' 62' ' ' LEU . . . -121.63 -20.45 3.19 Favored Glycine 0 CA--C 1.507 -0.467 0 C-N-CA 119.743 -1.218 . . . . 0.0 111.502 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.556 ' HB2' HG13 ' B' ' 86' ' ' VAL . 6.4 mt 76.46 43.09 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.731 -0.734 . . . . 0.0 112.006 168.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.555 HG22 ' O ' ' B' ' 62' ' ' LEU . 27.5 m -119.06 162.25 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 172.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.571 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 53.3 mt-10 -115.08 163.78 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.1 136.12 54.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.221 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -127.2 122.6 34.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.387 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 72' ' ' ARG . 51.9 mtt180 -97.29 108.63 21.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -111.58 87.26 2.51 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.24 -114.18 5.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.432 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.9 p -100.29 15.52 27.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.352 0.596 . . . . 0.0 110.703 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -107.83 127.72 53.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.641 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.551 ' HA ' HE21 ' B' ' 77' ' ' GLN . 0.0 OUTLIER -107.86 104.05 13.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.939 174.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -97.1 139.82 32.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.15 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.477 ' O ' HD21 ' B' ' 34' ' ' LEU . 13.2 m-85 -122.83 147.06 46.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.186 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 10.8 ttm180 -159.44 161.49 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.496 ' H ' ' HG2' ' B' ' 80' ' ' ARG . 59.8 mt -56.6 138.7 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 123.266 0.354 . . . . 0.0 110.194 176.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.571 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -62.77 -32.01 73.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.58 175.14 45.74 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.166 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 14.5 pt-20 -68.18 -21.89 64.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.961 0.41 . . . . 0.0 110.256 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.83 -46.64 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.583 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.556 HG13 ' HB2' ' B' ' 67' ' ' LEU . 21.7 t -76.48 -35.66 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.633 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.9 83.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.777 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 45.9 mtt180 -65.42 -36.69 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.55 HD12 HG23 ' A' ' 96' ' ' VAL . 7.2 tt -59.32 -61.17 2.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.63 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.67 -36.34 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.58 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -62.22 -49.94 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.595 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.72 -44.16 93.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.393 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.428 HG22 ' O ' ' B' ' 89' ' ' LEU . 69.9 t -60.33 -40.66 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.025 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.1 -38.43 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.58 HG21 ' O ' ' B' ' 91' ' ' ALA . 98.6 t -57.06 -41.83 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.611 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.18 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.579 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.478 ' HB2' ' HB3' ' A' ' 14' ' ' GLN . . . -67.42 -26.12 66.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.472 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.48 -61.51 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.932 -173.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -66.81 -31.68 72.46 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.229 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.59 -1.33 57.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.136 0.493 . . . . 0.0 110.368 177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -80.75 -32.31 35.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -72.6 113.21 9.38 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -111.39 -15.73 13.5 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -79.19 -7.02 57.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.871 0.367 . . . . 0.0 110.94 -174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -106.92 13.09 28.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.75 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -149.36 125.22 10.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.214 0.53 . . . . 0.0 111.407 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.276 -0.868 . . . . 0.0 108.865 175.567 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.743 0.306 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.01 108.25 17.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.108 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.03 109.51 3.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.013 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -92.47 -32.4 14.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.947 0.403 . . . . 0.0 110.842 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 m -89.91 4.91 48.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.417 0.627 . . . . 0.0 110.322 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -105.56 28.02 7.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.761 -174.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -64.71 -34.44 78.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.875 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -71.18 -14.02 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.571 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.3 70.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.697 0.284 . . . . 0.0 110.761 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.07 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.482 . . . . 0.0 110.235 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.439 ' O ' HG21 ' A' ' 15' ' ' VAL . 87.8 mt -70.71 -35.97 73.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.769 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.59 -34.22 77.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.24 -38.24 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.06 -35.35 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.385 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 HG21 ' O ' ' A' ' 11' ' ' LEU . 61.5 t -64.39 -41.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.508 ' HB3' ' HA2' ' B' ' 25' ' ' GLY . . . -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.715 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.56 -51.63 68.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.22 -29.13 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.49 -35.68 87.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.08 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.7 mtpt -63.34 -40.26 96.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.447 . . . . 0.0 110.352 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.81 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.599 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.4 mt -88.85 26.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.789 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.53 2.96 6.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.673 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.902 ' HB2' ' HA ' ' B' ' 16' ' ' ALA . 16.1 m120 60.93 -154.21 0.37 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.098 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.45 -160.08 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.2 mtm-85 -69.23 -13.3 62.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 111.368 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -73.47 -10.52 59.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 110.538 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.794 HD12 ' HB3' ' A' ' 24' ' ' ASN . 73.3 mt -73.2 -16.69 61.41 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' HB2' HG22 ' A' ' 48' ' ' THR . 76.7 mt-30 -60.14 -31.9 70.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.554 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 65.1 mt -68.46 -50.95 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.282 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.41 -39.35 90.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.253 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.49 -41.91 98.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 110.162 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 37.5 tp -69.14 -29.65 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.0 mt -89.42 -6.32 56.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.96 0.409 . . . . 0.0 110.983 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.54 -25.19 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.3 pt20 -84.08 -17.97 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 -161.92 34.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.764 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -96.5 133.76 40.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG2' HD23 ' A' ' 33' ' ' LEU . 23.0 tpp180 -135.24 141.22 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.071 -174.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -76.32 155.47 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.65 -46.21 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.868 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.504 ' HA ' HD13 ' A' ' 52' ' ' LEU . 2.8 mp0 -57.97 -41.48 83.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.868 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -40.47 77.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.428 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.1 mt -59.97 -50.81 78.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.767 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.35 90.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.078 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 m -65.89 -48.66 70.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.674 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 29' ' ' GLN . 21.3 p -84.77 -20.33 31.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.976 0.417 . . . . 0.0 111.246 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.19 53.71 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.222 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.7 mtm -118.16 176.33 5.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.627 0.251 . . . . 0.0 110.391 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -84.89 162.16 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.508 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 42' ' ' GLU . 4.0 mm? -57.31 -53.33 59.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.346 0.403 . . . . 0.0 110.598 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -60.62 -35.22 75.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.262 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 m -69.07 -40.26 78.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.268 0.556 . . . . 0.0 110.437 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.95 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.197 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 m -58.72 -31.47 68.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.61 86.07 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.3 m-80 -72.77 -35.53 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 90.7 mt -62.96 -42.1 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.243 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.97 71.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.414 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 76.5 mt -60.73 -39.8 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -74.89 -35.21 62.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.236 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.3 p -67.59 -20.58 65.39 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.838 0.351 . . . . 0.0 110.386 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -15.52 62.26 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.6 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.37 17.27 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.446 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.561 ' HA ' HG22 ' A' ' 86' ' ' VAL . 22.3 mt -93.99 -48.04 6.43 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.432 -178.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.76 159.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 111.583 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -105.36 153.64 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.277 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.3 109.49 16.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.762 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -111.64 104.82 13.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.543 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 42.7 ttp85 -81.68 133.0 35.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 0.0 110.471 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -124.35 103.32 8.14 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.62 -104.31 1.43 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.579 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.6 m -106.66 -22.14 12.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -105.34 158.13 16.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.126 0.489 . . . . 0.0 111.326 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.543 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 23.1 mt-30 -112.73 133.3 54.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.617 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -98.7 130.98 45.21 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.462 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 44.9 m-85 -111.5 149.0 31.96 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.044 0.449 . . . . 0.0 110.234 176.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -157.88 146.98 19.55 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.317 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.88 126.64 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.47 -77.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.106 0.479 . . . . 0.0 111.623 -172.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -101.42 158.01 18.83 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.322 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 9.2 pt-20 -70.07 -16.66 63.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.403 ' OD1' HG23 ' A' ' 86' ' ' VAL . 0.6 OUTLIER -57.92 -47.2 83.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 0.0 110.349 173.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 67' ' ' LEU . 62.5 t -66.07 -45.21 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.565 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.51 83.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.837 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 49.1 mtt180 -65.19 -41.16 94.82 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.521 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.43 -43.87 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.845 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.4 -48.29 81.12 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 95' ' ' VAL . . . -68.92 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 tt -62.73 -51.63 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.75 -31.27 52.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.185 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 91' ' ' ALA . 95.7 t -64.77 -41.73 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 92' ' ' LEU . 83.6 t -55.28 -51.53 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.6 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 101' ' ' LEU . . . -64.99 -31.22 72.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.93 -49.21 48.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.379 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -72.58 -35.21 67.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.839 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -74.89 -10.35 59.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.265 0.555 . . . . 0.0 110.263 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD22 ' CE1' ' A' ' 103' ' ' HIS . 21.6 tp -87.32 -0.79 57.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.234 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 87.07 -87.29 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.129 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.534 ' CE1' HD22 ' A' ' 101' ' ' LEU . 21.4 m80 65.28 19.78 11.74 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -84.85 127.98 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.639 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.7 m170 52.09 34.2 13.65 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.654 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -108.41 1.27 21.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.358 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 64.63 -153.47 0.29 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -175.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.234 179.453 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.76 174.23 0.25 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.379 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.04 -43.08 1.34 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.861 -176.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -136.75 135.41 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m 58.82 34.44 23.7 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.979 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -83.44 -13.44 54.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.558 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -25.83 66.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -175.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.53 -49.68 75.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.29 83.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.321 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.568 ' O ' HG21 ' B' ' 15' ' ' VAL . 54.2 tp -72.58 -44.82 61.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.799 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.41 -35.06 76.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.13 -42.06 96.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.884 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -68.56 -40.91 80.42 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.207 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.568 HG21 ' O ' ' B' ' 11' ' ' LEU . 41.6 t -62.89 -35.17 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.708 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.902 ' HA ' ' HB2' ' A' ' 24' ' ' ASN . . . -61.0 -33.23 72.93 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' B' ' 17' ' ' ARG . 2.4 tpm_? -58.9 -52.69 64.66 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.391 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.48 -47.25 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.016 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.584 ' HA3' ' OD1' ' A' ' 24' ' ' ASN . . . -60.92 -47.33 91.81 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.245 -176.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.426 ' HE2' ' HB3' ' B' ' 20' ' ' LYS . 31.0 mtpt -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.994 0.397 . . . . 0.0 111.304 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.97 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.524 HD21 HD12 ' B' ' 67' ' ' LEU . 97.6 mt -75.59 -22.26 57.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.1 84.62 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.236 0.541 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.43 ' OD1' ' HB3' ' B' ' 27' ' ' ARG . 9.1 p30 -158.84 151.69 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.532 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.508 ' HA2' ' HB3' ' A' ' 16' ' ' ALA . . . -102.04 -80.19 1.46 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.432 -0.889 . . . . 0.0 113.173 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.6 -12.49 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.43 ' HB3' ' OD1' ' B' ' 24' ' ' ASN . 43.2 ttm180 -70.08 -18.1 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.104 0.478 . . . . 0.0 110.468 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.22 -12.82 61.07 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.515 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.33 -32.55 70.19 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.211 0.529 . . . . 0.0 109.845 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.403 ' O ' HD22 ' B' ' 34' ' ' LEU . 72.3 mt -66.75 -48.9 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.045 177.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.09 -33.1 73.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 10.1 t70 -61.79 -51.48 68.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.529 . . . . 0.0 110.013 174.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.52 -38.31 89.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.4 mm? -75.25 -24.13 57.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.981 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -21.89 61.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 54.5 mt-30 -88.55 -12.83 41.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.713 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.78 164.5 13.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.628 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.04 139.07 35.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.511 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -142.72 157.95 44.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.477 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -79.49 158.87 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.9 -43.33 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.886 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.481 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 41.1 tt0 -61.07 -39.75 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.178 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.85 73.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.973 0.416 . . . . 0.0 110.668 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.55 -46.99 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.861 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.426 ' HB2' HD22 ' B' ' 52' ' ' LEU . . . -64.69 -47.56 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.598 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -63.17 -43.24 98.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.219 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.52 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.719 0.295 . . . . 0.0 111.588 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.5 p -86.53 -15.99 38.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.502 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.38 28.58 32.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.648 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.5 mtm -118.28 170.84 8.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.826 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.5 158.54 28.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 73.5 mt -63.57 -39.75 95.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.907 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.7 m -67.65 -34.81 77.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.974 0.416 . . . . 0.0 110.551 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -69.14 -44.36 72.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.063 0.459 . . . . 0.0 110.398 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -61.61 -49.53 76.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.262 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.3 p -62.0 -36.53 81.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.547 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.77 91.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.747 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -69.94 -36.51 75.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 97.1 mt -64.61 -39.38 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.408 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.75 -41.2 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.56 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.3 -34.21 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -69.7 -33.75 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.0 m -71.16 -22.53 62.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.461 . . . . 0.0 110.511 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.57 -10.55 70.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.311 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.91 18.23 54.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.708 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.524 HD12 HD21 ' B' ' 22' ' ' LEU . 3.7 mm? -83.92 -49.91 8.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.07 155.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 111.273 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -114.05 169.81 8.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.79 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.31 118.68 29.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.065 0.459 . . . . 0.0 111.44 -176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -104.8 157.13 17.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.734 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -131.02 118.1 20.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.766 0.317 . . . . 0.0 110.812 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.27 103.96 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.141 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.89 -109.21 2.73 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.325 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.8 m -107.23 0.64 23.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.611 0.719 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -101.83 144.47 30.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 22.7 mt-30 -116.0 108.91 16.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 173.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -94.31 124.58 38.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.632 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.86 148.65 24.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.509 ' HA ' HD12 ' B' ' 34' ' ' LEU . 42.0 ttt-85 -152.95 156.25 38.53 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.425 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 44.3 mm -55.47 132.19 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -47.68 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -146.67 167.16 28.18 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.468 -178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 37.8 tt0 -65.85 -33.96 77.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.04 -41.05 91.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.632 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 48.8 t -70.01 -39.66 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.136 0.493 . . . . 0.0 110.436 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.18 96.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 57.5 mtp180 -72.94 -24.13 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.512 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.03 -45.48 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.42 ' HA ' HG13 ' B' ' 93' ' ' VAL . 91.7 t80 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.181 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.56 -41.62 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.21 -46.86 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.42 HG13 ' HA ' ' B' ' 90' ' ' PHE . 10.7 p -66.31 -28.21 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.67 -42.56 99.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.643 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 89.4 t -62.04 -40.12 86.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 177.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' B' ' 100' ' ' HIS . 61.2 t -64.01 -28.14 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.174 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.59 -30.7 14.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.749 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.51 -70.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 111.442 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -67.13 -43.11 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.337 0.589 . . . . 0.0 110.959 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.527 ' HB3' ' O ' ' B' ' 96' ' ' VAL . 39.1 t-80 -74.2 -14.65 60.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.893 -172.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.655 ' HG ' ' HG2' ' B' ' 102' ' ' GLU . 53.3 tp -84.04 -66.76 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.199 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.655 ' HG2' ' HG ' ' B' ' 101' ' ' LEU . 9.7 pt-20 -174.2 -153.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.103 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 70.12 14.23 7.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.399 0.618 . . . . 0.0 110.643 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -86.34 -18.61 31.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.13 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -119.57 5.41 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.326 0.584 . . . . 0.0 110.435 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' B' ' 108' ' ' HIS . 57.8 t60 -76.57 138.22 40.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -60.69 -34.06 73.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.531 -172.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.429 ' O ' ' HD2' ' B' ' 106' ' ' HIS . 48.7 t-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.916 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.56 -58.22 0.56 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.886 0.741 . . . . 0.0 112.264 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.87 -110.28 1.48 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.982 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -139.1 144.69 38.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -136.7 122.96 20.54 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -100.98 8.61 42.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.068 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 4.6 mmp_? -57.15 -56.43 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.071 -173.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.9 -33.93 59.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.882 0.372 . . . . 0.0 110.465 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.43 87.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.9 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.188 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 77.1 mt -67.72 -47.25 69.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 109.972 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.446 ' HA ' HG21 ' A' ' 15' ' ' VAL . 90.2 mt -69.36 -31.49 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.807 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.67 -44.85 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -65.63 -44.09 87.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.505 HG12 HG21 ' B' ' 93' ' ' VAL . 30.3 m -67.42 -32.01 55.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.011 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -70.06 -39.07 75.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.83 -45.32 78.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 176.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 67' ' ' LEU . 60.7 t -62.42 -45.26 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.519 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.45 92.39 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.487 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 61.3 mtpt -62.01 -37.98 86.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.974 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.4 72.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.234 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.1 mt -85.56 -3.87 58.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.784 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.36 16.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.475 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.9 t-20 -142.21 118.46 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.468 ' O ' ' HG3' ' A' ' 29' ' ' GLN . . . -61.43 -33.6 85.28 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.607 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.87 -24.35 64.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.911 0.355 . . . . 0.0 111.135 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -81.82 -31.49 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.389 0.614 . . . . 0.0 109.392 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 79.4 mt -71.13 -28.85 64.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.728 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 76.6 mt-30 -59.39 -33.54 71.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.189 0.519 . . . . 0.0 109.932 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.513 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.9 mt -70.32 -43.77 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.38 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.1 -37.8 78.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.03 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.459 ' CG ' ' HZ1' ' B' ' 8' ' ' LYS . 28.1 t70 -60.88 -49.72 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.249 175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 85.8 mt -58.28 -39.92 80.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.88 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 57.7 mt -76.97 -13.61 59.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.237 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.8 49.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.99 -37.49 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.51 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 34' ' ' LEU . . . 173.64 -173.95 45.98 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 144.81 35.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.198 0.523 . . . . 0.0 110.615 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -137.7 131.75 31.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.501 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.28 159.34 33.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.736 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.7 t -48.57 -41.93 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.471 0.482 . . . . 0.0 111.217 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.77 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.234 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.39 94.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.43 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.428 HD12 HD21 ' A' ' 59' ' ' LEU . 82.8 mt -61.05 -47.53 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.251 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.14 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.139 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -61.77 -45.26 94.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.32 66.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.2 p -98.45 -14.76 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.116 0.484 . . . . 0.0 111.181 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 32.78 47.76 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.95 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.4 mtm -118.19 172.16 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -85.46 158.4 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -57.77 -41.59 82.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.402 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -70.31 -38.98 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.956 0.408 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.3 m -59.21 -48.53 81.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.149 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.95 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.544 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 37.2 t -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.622 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.23 77.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.077 0.465 . . . . 0.0 110.897 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.49 -42.85 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.686 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.428 HD21 HD12 ' A' ' 44' ' ' ILE . 90.2 mt -64.63 -37.29 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.344 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 56' ' ' SER . 77.1 mt-30 -60.66 -44.51 96.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.681 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.68 81.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 0.0 110.255 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.67 -39.07 87.05 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.668 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -69.62 -42.81 73.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.649 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.8 p -68.62 -22.23 64.44 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 111.259 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.28 -16.49 78.71 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.412 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.18 18.88 58.45 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.068 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.521 HD12 HG13 ' A' ' 18' ' ' VAL . 7.8 mp -89.83 -39.21 13.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.86 158.03 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.009 0.433 . . . . 0.0 111.69 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.55 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 38.1 mt-10 -116.19 158.27 23.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.033 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.94 109.45 20.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.598 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.746 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -98.19 106.14 18.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.853 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -89.79 110.06 21.0 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.098 0.475 . . . . 0.0 110.052 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.45 107.61 15.77 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.09 -116.83 5.42 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -110.23 -2.05 17.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.165 0.507 . . . . 0.0 109.976 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -102.11 140.09 36.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.565 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -112.98 116.47 30.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.873 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.2 m-85 -100.76 131.16 46.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.001 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.26 146.4 27.58 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 0.0 110.339 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -153.17 162.96 40.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.599 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -59.92 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.55 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.23 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.323 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.51 166.5 28.67 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.908 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.617 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -54.42 -35.95 63.47 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.465 0.306 . . . . 0.0 111.093 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.553 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 33.9 t70 -63.87 -38.39 90.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 67' ' ' LEU . 44.2 t -67.51 -37.21 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.164 0.506 . . . . 0.0 109.73 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.39 86.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.096 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.617 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 62.0 mtp180 -56.05 -40.78 74.03 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.51 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.16 -51.23 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.498 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -66.04 -36.58 83.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.049 0.452 . . . . 0.0 110.763 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.488 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -66.47 -40.62 89.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.424 ' O ' HG21 ' A' ' 96' ' ' VAL . 57.0 tp -64.46 -48.62 74.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -177.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.93 -32.0 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.485 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.24 -44.76 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.501 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 91' ' ' ALA . 92.9 t -61.96 -47.14 94.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.332 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' B' ' 85' ' ' ASP . 92.5 t -55.04 -45.78 76.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.081 176.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.88 53.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.898 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.29 -48.87 67.99 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 111.913 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.61 -38.05 68.94 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -95.51 -26.11 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.981 -0.687 . . . . 0.0 111.598 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 58.1 tp -74.54 -57.63 3.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.584 0.231 . . . . 0.0 111.134 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -83.68 82.95 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.569 0.7 . . . . 0.0 110.253 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.429 ' H ' ' CD2' ' A' ' 103' ' ' HIS . 5.5 p80 -68.28 119.94 13.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.892 173.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -65.4 129.83 41.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.962 -172.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -144.56 -0.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.353 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -83.29 121.55 27.27 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.945 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -76.49 -33.05 58.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.435 0.636 . . . . 0.0 109.353 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--O 1.244 0.799 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.705 176.492 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.24 29.86 18.92 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.605 0.566 . . . . 0.0 111.306 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 93.99 -134.71 12.19 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.491 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -133.28 -2.39 3.14 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.751 0.31 . . . . 0.0 110.371 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m 71.71 -60.97 0.5 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.398 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 74.7 -14.64 0.71 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.857 0.863 . . . . 0.0 112.82 170.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -71.18 -42.44 69.03 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -172.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.459 ' HZ1' ' CG ' ' A' ' 32' ' ' ASP . 63.1 tttp -59.8 -49.95 75.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.112 0.482 . . . . 0.0 110.043 177.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.07 72.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.241 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -61.25 -37.96 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.59 -38.82 77.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.06 0.457 . . . . 0.0 110.098 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.33 -29.7 68.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.14 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.48 -35.93 58.12 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.537 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 85.3 mm-40 -64.9 -44.59 89.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.929 0.395 . . . . 0.0 110.82 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.468 HG22 HD13 ' A' ' 28' ' ' LEU . 27.6 m -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.511 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -72.83 -37.96 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.218 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -57.72 -51.68 68.55 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.51 -33.12 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.68 98.54 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.909 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 94.5 mttt -59.31 -37.53 77.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.849 0.357 . . . . 0.0 110.64 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.46 -25.78 54.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.393 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.45 -28.38 31.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 78.11 2.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.703 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 22.9 t-20 -179.33 99.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.787 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.508 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . -61.62 -23.92 63.51 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 114.218 -172.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -71.34 -48.33 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.328 0.564 . . . . 0.0 111.864 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.419 ' HD3' ' OD1' ' B' ' 58' ' ' ASN . 5.3 ptt180 -82.67 -8.65 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.833 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 79.7 mt -66.27 -20.89 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.218 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.93 -29.34 69.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.345 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.417 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.7 mt -68.48 -44.46 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.257 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.13 -40.35 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.435 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.07 -36.42 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 53.6 tp -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.25 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.479 ' HB3' ' HA ' ' B' ' 80' ' ' ARG . 64.6 mt -82.91 -6.94 59.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.357 . . . . 0.0 111.394 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.01 -14.16 56.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.086 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 11.6 pt20 -105.87 4.02 29.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.985 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.13 167.83 15.13 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.352 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.608 ' HA ' ' HB3' ' B' ' 80' ' ' ARG . 8.9 pt-20 -79.73 120.06 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.185 0.517 . . . . 0.0 110.574 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -115.8 145.25 42.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -77.73 158.87 29.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.99 -36.13 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 123.408 0.442 . . . . 0.0 111.508 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.436 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.1 mt-10 -60.47 -51.96 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.533 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.56 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.691 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.78 -51.67 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.92 -48.0 81.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.154 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.85 -47.27 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.6 66.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.997 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.425 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 32.5 p -98.38 -6.05 31.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.97 36.31 36.37 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.724 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.425 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 24.2 ptp -133.57 174.94 9.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.746 0.308 . . . . 0.0 110.698 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -90.21 158.09 17.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.317 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.436 HD21 ' HG2' ' B' ' 42' ' ' GLU . 10.0 mp -53.02 -43.71 66.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.616 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.3 m -65.36 -40.87 94.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.863 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 15.3 m -62.42 -44.87 95.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.267 0.556 . . . . 0.0 110.133 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.458 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -63.3 -48.81 76.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.729 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 26.0 t -55.59 -41.34 73.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.024 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.01 83.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.419 ' OD1' ' HD3' ' B' ' 27' ' ' ARG . 45.6 m-80 -67.77 -36.67 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 95.4 mt -62.92 -37.56 87.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.936 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.514 ' CA ' HE21 ' B' ' 60' ' ' GLN . 0.0 OUTLIER -69.11 -32.85 72.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.758 178.151 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.51 -40.93 76.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.709 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 0.0 110.587 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -72.73 -38.01 67.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.754 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -72.68 -28.23 62.57 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.1 -23.37 77.21 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.578 171.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.01 25.5 14.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.546 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.471 HD12 HG12 ' B' ' 86' ' ' VAL . 3.1 mm? -92.88 -49.2 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.546 -177.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.92 156.93 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.248 0.547 . . . . 0.0 112.214 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.444 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 38.5 mt-10 -113.83 163.97 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.13 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.77 130.51 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.999 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -125.05 112.51 16.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.715 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -92.1 120.28 32.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -131.63 125.59 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.0 0.428 . . . . 0.0 110.28 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.82 -101.12 1.27 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -131.34 -1.14 3.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -109.35 148.69 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 -175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -108.67 124.5 50.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.91 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 53.3 m-85 -99.51 126.1 45.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.039 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.416 ' CD1' HD12 ' B' ' 59' ' ' LEU . 53.7 m-85 -111.96 148.8 32.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.608 ' HB3' ' HA ' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -162.04 163.36 28.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.9 mm -56.4 129.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.561 0.538 . . . . 0.0 109.732 175.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.444 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -53.86 -71.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.664 0.603 . . . . 0.0 112.022 -175.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.46 -154.78 6.98 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.283 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.49 ' HG3' ' HD2' ' B' ' 88' ' ' ARG . 6.6 tp10 -59.98 -46.39 89.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.039 -0.58 . . . . 0.0 110.921 -175.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . 0.481 ' HB2' HG11 ' A' ' 96' ' ' VAL . 12.3 p-10 -56.3 -44.71 80.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.82 -176.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.471 HG12 HD12 ' B' ' 67' ' ' LEU . 54.3 t -69.36 -44.68 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.98 0.419 . . . . 0.0 111.178 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.97 92.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.13 -177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.49 ' HD2' ' HG3' ' B' ' 84' ' ' GLU . 55.9 mtp180 -64.52 -43.11 95.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.21 -55.97 17.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.527 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -67.07 -44.37 80.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.197 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.424 ' O ' HG11 ' B' ' 96' ' ' VAL . 49.6 tp -61.4 -46.58 89.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.118 -176.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.505 HG21 HG12 ' A' ' 15' ' ' VAL . 9.2 p -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.675 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -70.26 -37.38 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.527 HG22 ' O ' ' B' ' 91' ' ' ALA . 73.4 t -62.99 -46.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 177.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' B' ' 100' ' ' HIS . 7.5 m -65.37 -25.66 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.696 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.18 -54.02 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.11 -48.07 77.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.934 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -69.71 -24.84 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.412 . . . . 0.0 110.962 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' B' ' 96' ' ' VAL . 19.6 m-70 -90.21 -2.96 58.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.754 0.311 . . . . 0.0 111.171 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 5.4 tp -82.02 -15.21 54.4 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -72.87 130.67 40.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.439 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -119.96 28.09 8.29 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 73.36 66.13 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.356 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -109.6 15.12 23.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.769 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -81.1 83.14 6.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.746 0.308 . . . . 0.0 111.248 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -165.35 102.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.983 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.122 -0.942 . . . . 0.0 109.667 176.117 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.35 -62.28 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.67 178.11 18.91 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.472 ' C ' ' H ' ' A' ' 6' ' ' ASP . 50.6 tt0 -130.59 -81.67 0.54 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.927 0.364 . . . . 0.0 110.617 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t 71.57 -33.56 0.27 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.674 0.789 . . . . 0.0 112.01 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 4' ' ' GLN . 21.4 t70 -60.79 -15.16 26.81 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 122.914 0.486 . . . . 0.0 111.776 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -57.58 -40.78 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.404 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.68 -32.0 69.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.311 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.458 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.64 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.2 -45.26 63.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.226 0.536 . . . . 0.0 109.734 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' B' ' 28' ' ' LEU . 87.4 mt -67.12 -30.73 70.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.447 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.38 -41.06 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.12 -41.53 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.442 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -58.94 -37.96 77.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.473 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -67.08 -41.77 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.311 -0.156 . . . . 0.0 111.342 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.86 -51.0 77.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.45 0.643 . . . . 0.0 110.023 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.31 77.67 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 51.3 tttm -67.91 -34.8 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.771 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.9 -34.86 64.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' HG ' HD23 ' A' ' 28' ' ' LEU . 8.9 tt -80.55 -17.49 51.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.75 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' B' ' 20' ' ' LYS . . . -70.11 98.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -175.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.677 ' HA ' ' HB1' ' B' ' 16' ' ' ALA . 27.2 t-20 65.99 104.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.529 172.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.71 149.04 6.11 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.127 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.17 -4.49 53.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HG2' ' OD1' ' A' ' 58' ' ' ASN . 96.0 mtt180 -56.86 -21.27 28.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.141 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.5 HD23 ' HG ' ' A' ' 22' ' ' LEU . 88.1 mt -65.21 -13.76 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.349 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.13 -25.62 68.17 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.5 mm -64.43 -52.59 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 67' ' ' LEU . 97.7 mt -63.91 -36.94 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.406 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.77 -46.28 87.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.488 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 38.4 tp -69.3 -37.34 77.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.003 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.9 mt -76.8 -16.68 59.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 0.0 111.246 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -14.6 61.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.222 0.534 . . . . 0.0 110.157 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' OE1' HD11 ' A' ' 33' ' ' LEU . 81.0 mt-30 -86.89 -24.77 24.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.594 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.79 173.76 24.81 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.8 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.573 ' HG3' ' HB2' ' A' ' 80' ' ' ARG . 44.0 tt0 -71.46 128.51 36.08 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.494 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 37.9 mmt180 -119.58 148.77 42.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -175.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -82.22 156.72 24.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 77' ' ' GLN . 66.5 t -53.51 -46.05 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.729 0.3 . . . . 0.0 111.501 -177.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.64 -43.58 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.178 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.59 98.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.572 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.4 mt -60.01 -48.85 86.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.456 177.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.85 42.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.9 m -59.56 -47.82 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.14 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.6 p -85.33 -16.89 38.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.86 0.362 . . . . 0.0 111.299 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.8 16.79 53.99 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.7 mtm -109.89 178.55 4.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.68 0.276 . . . . 0.0 110.376 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -105.27 169.5 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' ' 52' ' ' LEU . 4.3 mm? -58.83 -45.95 88.82 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -62.06 -48.37 80.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 0.0 111.569 -176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.4 m -66.42 -39.96 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.561 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -60.75 -50.19 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.684 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -60.07 -36.73 78.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.054 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.79 76.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.432 ' OD1' ' HG2' ' A' ' 27' ' ' ARG . 40.3 m-80 -68.83 -36.7 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 97.6 mt -59.22 -46.51 88.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.57 -44.0 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.55 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.273 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.61 -28.38 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.62 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 56.6 tttm -72.14 -35.8 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.364 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 m -65.68 -32.92 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.26 -24.48 76.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.938 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.25 21.52 17.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.607 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.402 ' HB3' HD22 ' A' ' 31' ' ' LEU . 3.8 mm? -86.23 -42.13 14.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.431 . . . . 0.0 111.177 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -123.37 158.12 28.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 112.16 -174.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -119.9 171.4 8.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.617 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.79 131.84 29.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.907 0.384 . . . . 0.0 111.876 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -127.56 124.1 37.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.467 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 4.3 ptm180 -98.72 138.65 35.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.555 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.84 103.45 6.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.086 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.74 -105.98 1.8 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.081 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -107.97 -16.45 14.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.201 0.524 . . . . 0.0 110.096 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -94.15 158.38 15.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.702 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.467 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 64.2 tt0 -132.9 123.82 26.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.396 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 55.8 m-85 -100.15 135.12 42.07 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -109.3 137.4 47.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.573 ' HB2' ' HG3' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -145.72 146.62 31.32 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -174.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.548 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 52.5 mt -54.16 131.61 16.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.497 ' HB2' HG21 ' A' ' 86' ' ' VAL . . . -41.18 -47.39 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.12 177.64 37.4 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.36 -33.8 75.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.61 -46.86 77.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.109 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.497 HG21 ' HB2' ' A' ' 82' ' ' ALA . 25.0 t -79.25 -32.74 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.5 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' ' 81' ' ' ILE . . . -63.66 -46.14 86.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.038 0.447 . . . . 0.0 110.195 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 88' ' ' ARG . 52.5 mtt180 -70.95 -22.78 62.17 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.019 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.09 -48.18 77.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.75 -38.43 86.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -65.33 -46.44 80.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.459 ' O ' HG21 ' A' ' 96' ' ' VAL . 8.0 tt -60.27 -47.87 84.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.967 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.48 -31.28 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.503 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 91' ' ' ALA . 92.3 t -66.05 -42.47 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.232 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.597 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 73.3 t -52.91 -37.56 26.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.478 ' O ' ' HG ' ' A' ' 101' ' ' LEU . . . -82.19 -73.3 0.4 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.238 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CG ' ' HE2' ' A' ' 103' ' ' HIS . 14.6 t70 -57.96 -47.66 82.26 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -169.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 10.7 tp10 -72.9 -40.52 65.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.238 -174.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.597 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 23.5 m-70 -84.03 -26.12 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.732 -173.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 97' ' ' ALA . 94.1 mt -73.15 -27.5 61.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 67.35 163.24 0.19 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.345 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.405 ' HE2' ' CG ' ' A' ' 98' ' ' ASP . 76.8 m-70 -104.09 80.22 1.71 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.952 174.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -80.09 161.56 25.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.432 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.436 ' O ' ' HD2' ' A' ' 107' ' ' HIS . 35.9 t-80 -66.02 133.02 49.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 173.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -61.16 106.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.013 0.435 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.436 ' HD2' ' O ' ' A' ' 105' ' ' HIS . 19.5 p80 -129.74 18.66 5.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.468 176.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 . . . . . 0 C--O 1.246 0.878 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.856 179.176 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtm . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.28 159.3 32.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.921 0.391 . . . . 0.0 111.27 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.85 48.8 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.405 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -97.7 100.42 11.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.671 0.272 . . . . 0.0 110.782 -177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m -92.96 10.48 31.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.077 0.465 . . . . 0.0 110.404 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.452 ' HA ' ' HB3' ' B' ' 9' ' ' ALA . 18.5 p-10 -66.45 -25.42 66.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.781 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -51.93 -51.46 56.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.981 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -27.28 21.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -177.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' B' ' 6' ' ' ASP . . . -63.82 -35.37 80.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.77 71.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.952 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.65 -43.84 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.92 -37.54 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.41 -45.77 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.312 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.443 ' HG2' HD13 ' A' ' 101' ' ' LEU . 8.5 tp-100 -63.4 -44.36 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.115 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -67.41 -30.31 48.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.068 0.461 . . . . 0.0 110.246 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 24' ' ' ASN . . . -70.55 -32.56 70.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.127 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.28 -43.3 78.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.137 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.89 -46.82 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.023 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.82 -31.6 80.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.637 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . 64.1 tttp -62.52 -45.44 92.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.72 0.295 . . . . 0.0 110.757 178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.33 -18.88 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.31 -32.51 29.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.617 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.25 84.37 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.655 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 19.1 t-20 -173.08 112.73 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.27 172.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.96 95.53 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.853 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -62.58 -38.45 90.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.458 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' B' ' 24' ' ' ASN . 40.9 ttm180 -78.1 -26.52 48.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.675 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 90.3 mt -62.01 -23.93 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -62.1 -32.38 72.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.056 0.455 . . . . 0.0 110.441 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.8 mt -67.03 -44.81 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.258 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.72 -36.02 82.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.896 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.73 -43.14 94.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.107 0.479 . . . . 0.0 110.211 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.76 -35.07 76.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 73.4 mt -83.55 -8.46 59.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 0.0 111.597 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -7.86 53.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.685 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -114.33 5.39 15.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.95 -162.0 27.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.26 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.79 137.15 36.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.768 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -136.21 144.44 44.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.56 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.0 149.23 46.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.87 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.431 HG21 ' O ' ' B' ' 77' ' ' GLN . 60.6 t -56.49 -39.21 60.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.309 0.38 . . . . 0.0 110.654 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.554 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 2.9 tm-20 -56.53 -47.82 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.472 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -38.76 81.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.493 HG13 ' O ' ' B' ' 40' ' ' ALA . 86.7 mt -61.14 -49.47 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.7 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.313 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.19 -22.06 63.93 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.7 p -96.97 -13.33 22.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.774 0.321 . . . . 0.0 111.228 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.94 39.28 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.044 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 68.7 mtm -118.7 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.0 110.479 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -98.55 160.33 14.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 92.7 mt -55.93 -45.33 78.78 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.23 0.331 . . . . 0.0 111.304 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -67.14 -35.9 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -65.77 -45.15 83.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 110.767 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.29 84.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.583 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -60.5 -38.42 84.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.65 85.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.935 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -68.34 -33.24 73.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' B' ' 79' ' ' TYR . 81.1 mt -66.22 -34.65 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.97 -36.22 82.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.147 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.16 93.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -36.08 82.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.927 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -65.57 -40.64 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.225 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -66.62 -30.9 71.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.439 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.91 -29.74 70.67 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.32 20.21 52.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.023 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.7 ' HB2' HG11 ' B' ' 86' ' ' VAL . 1.4 pt? -105.23 -1.78 24.92 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.81 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.53 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.975 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.493 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 42.1 mt-10 -119.19 151.09 38.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.52 137.28 46.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.418 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 11.2 mmm180 -124.4 127.3 47.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.82 109.29 20.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 104.04 11.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.29 -104.96 1.52 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 t -121.97 5.21 9.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.51 0.672 . . . . 0.0 109.547 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -95.01 145.14 25.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.166 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.431 ' O ' HG21 ' B' ' 41' ' ' VAL . 26.5 tt0 -112.0 117.83 33.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 30.2 m-85 -104.22 153.35 21.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.417 ' CD1' HD11 ' B' ' 59' ' ' LEU . 11.9 m-85 -128.26 157.85 39.78 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.306 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -158.9 172.07 18.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 45.6 mm -76.45 134.38 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.493 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -69.0 -24.61 64.24 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -158.84 151.59 22.58 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.757 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.0 OUTLIER -61.14 -34.16 74.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.081 0.467 . . . . 0.0 110.308 178.376 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . 0.544 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 5.3 t0 -63.27 -32.7 74.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.566 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.7 HG11 ' HB2' ' B' ' 67' ' ' LEU . 57.5 t -69.5 -40.7 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.98 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.41 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.544 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 89.5 mtt180 -63.27 -45.25 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.578 176.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.422 ' HB2' HD22 ' A' ' 92' ' ' LEU . 44.1 tp -58.69 -50.48 73.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.22 -46.56 85.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.908 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.511 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.8 -44.95 88.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.426 ' O ' HG21 ' B' ' 96' ' ' VAL . 7.4 tt -60.02 -53.31 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.816 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.33 -31.15 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.038 0.447 . . . . 0.0 110.991 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -67.16 -41.56 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.119 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 91' ' ' ALA . 75.0 t -61.69 -47.5 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 175.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.426 HG21 ' O ' ' B' ' 92' ' ' LEU . 93.9 t -52.06 -45.94 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.815 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.491 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -63.4 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.63 -35.61 74.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 111.517 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.7 -53.69 31.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -73.88 -22.43 59.73 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.485 -175.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 97' ' ' ALA . 84.1 mt -77.94 78.28 4.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 168.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.654 ' HB2' ' HD2' ' B' ' 104' ' ' HIS . 8.4 pt-20 -53.23 108.49 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.43 -170.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -79.43 80.3 5.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.214 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.654 ' HD2' ' HB2' ' B' ' 102' ' ' GLU . 93.2 m-70 -131.57 89.98 2.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 30.5 m80 69.77 -87.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.381 -176.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -143.91 -58.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.51 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . 0.432 ' CD2' ' HB2' ' B' ' 104' ' ' HIS . 21.9 m-70 56.02 52.79 9.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.486 -178.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.118 -0.944 . . . . 0.0 109.877 178.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.436 0.16 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.76 86.41 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.647 0.592 . . . . 0.0 112.169 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.03 -3.07 0.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.939 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -104.38 175.3 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.029 0.442 . . . . 0.0 110.859 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -90.17 87.43 6.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.481 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -88.72 -26.56 21.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.276 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 47.4 mtt180 -61.37 -38.94 88.8 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.726 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -60.1 -54.8 41.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.4 92.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.62 64.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.534 ' HA ' HE21 ' A' ' 14' ' ' GLN . 4.5 tt -72.2 -50.37 28.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 HD23 ' HB3' ' B' ' 28' ' ' LEU . 78.2 mt -64.79 -33.86 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.435 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.46 -53.47 57.75 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.689 HE22 HD12 ' B' ' 101' ' ' LEU . 28.6 pt20 -75.49 -35.7 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.797 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -70.55 -31.34 46.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.452 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -68.13 -35.71 78.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -63.83 -39.52 94.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.521 176.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 14' ' ' GLN . 63.5 t -61.46 -43.81 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.2 -22.0 70.52 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.885 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.1 mtpt -71.99 -46.92 55.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.923 0.392 . . . . 0.0 110.286 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.41 69.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 110.049 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 18.6 tp -91.7 24.4 3.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.306 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.538 ' HB2' HH21 ' A' ' 27' ' ' ARG . . . -78.57 15.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 110.323 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.672 ' CG ' ' HA ' ' B' ' 16' ' ' ALA . 27.4 m-80 70.88 -170.83 0.16 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.304 169.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.61 -157.3 15.03 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 26' ' ' ARG . 5.2 ptp180 -64.7 -22.74 67.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.967 0.413 . . . . 0.0 110.964 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.538 HH21 ' HB2' ' A' ' 23' ' ' ALA . 16.9 ptt180 -72.83 -10.21 59.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.46 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD11 ' OD1' ' A' ' 24' ' ' ASN . 30.3 mt -73.12 -30.07 63.35 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.307 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.58 -26.54 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.857 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.99 -49.79 41.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.952 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.64 -40.78 93.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.905 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.83 -40.43 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.807 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 tp -70.62 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.489 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.86 -31.25 70.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.64 -21.3 66.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.5 . . . . 0.0 110.595 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -95.96 -0.48 50.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.706 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.67 137.76 3.37 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.264 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.19 141.4 45.49 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -154.75 172.43 17.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 -171.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -76.37 163.21 27.21 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.317 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -59.67 -40.98 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.405 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.53 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 mp0 -57.45 -45.47 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.786 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.75 95.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.313 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.24 -48.47 88.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.002 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.8 87.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.326 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -67.49 -50.88 56.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.89 72.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -84.3 -25.46 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.485 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.67 16.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.952 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -125.32 175.74 7.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.133 0.492 . . . . 0.0 111.278 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -75.93 154.06 36.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.606 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.53 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 73.1 mt -54.95 -50.57 68.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -64.93 -32.45 74.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.686 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.5 m -65.69 -47.05 76.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.238 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.67 98.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.588 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 39.4 m -59.94 -42.17 93.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -64.48 -37.43 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.051 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 56' ' ' SER . 31.8 mm-40 -63.39 -42.62 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.367 . . . . 0.0 110.093 177.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.44 86.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.246 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.52 ' HB3' HG22 ' A' ' 68' ' ' VAL . 6.0 mp -56.09 -43.94 78.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -70.56 -36.26 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -25.94 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.29 -15.67 68.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.524 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.73 49.92 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.687 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.38 -38.8 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.297 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.52 HG22 ' HB3' ' A' ' 62' ' ' LEU . 22.2 m -134.04 162.64 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 111.598 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -124.76 166.09 16.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.49 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.03 150.03 48.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 111.702 -173.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 71' ' ' ARG . 63.6 mtm-85 -129.84 115.4 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.513 174.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -79.09 96.76 5.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 172.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.32 88.09 2.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.509 0.671 . . . . 0.0 110.382 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.62 -121.98 10.17 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.135 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -91.84 -5.73 52.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.618 0.247 . . . . 0.0 111.167 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.28 147.9 47.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.103 0.477 . . . . 0.0 110.842 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -114.94 124.36 51.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.653 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.1 m-85 -99.27 140.32 33.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.188 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -120.13 137.6 54.06 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.961 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -133.51 159.44 40.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.726 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.9 mt -65.43 142.55 16.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.454 ' HB1' HG21 ' A' ' 86' ' ' VAL . . . -55.87 -24.45 37.09 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -176.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 170.0 -172.3 43.77 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.201 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -70.82 -24.25 62.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.073 0.464 . . . . 0.0 110.091 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -65.34 -50.25 66.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.462 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.454 HG21 ' HB1' ' A' ' 82' ' ' ALA . 59.5 t -70.75 -37.6 69.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.659 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.38 86.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 111.02 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -78.03 -14.21 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.941 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.32 -47.23 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.35 -35.68 80.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.126 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.63 -37.68 85.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.9 tt -61.32 -52.59 64.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.08 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -67.35 -25.02 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.596 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.85 -42.6 85.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.028 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 91' ' ' ALA . 84.3 t -64.44 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.894 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 92' ' ' LEU . 98.9 t -53.63 -39.75 39.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.408 176.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.772 ' HA ' HE21 ' B' ' 14' ' ' GLN . . . -73.81 -60.56 2.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.98 -46.67 75.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -172.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -73.24 -48.02 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.669 0.271 . . . . 0.0 110.797 -176.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.0 -13.79 61.71 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.648 0.261 . . . . 0.0 110.969 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.6 tp -86.95 -7.4 58.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.871 0.367 . . . . 0.0 110.684 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.87 170.89 3.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.203 0.525 . . . . 0.0 111.359 -179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -70.86 98.8 1.63 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.287 -171.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -131.04 3.3 4.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.417 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -64.44 -61.36 2.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.803 177.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -171.86 101.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -98.71 48.87 0.97 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.292 0.567 . . . . 0.0 111.364 -170.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.834 178.304 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.99 11.39 7.03 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.816 0.698 . . . . 0.0 112.472 176.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.27 37.5 94.12 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.082 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.412 ' C ' ' H ' ' B' ' 6' ' ' ASP . 9.9 tt0 -59.53 114.99 2.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.33 0.252 . . . . 0.0 110.899 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t 75.96 -16.61 0.59 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.014 0.821 . . . . 0.0 110.945 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' B' ' 4' ' ' GLN . 57.6 m-20 -73.12 -28.68 62.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.004 -177.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.29 -32.72 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.462 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -80.47 -38.55 29.73 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.89 93.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.553 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.64 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.832 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.92 -46.2 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.515 ' HA ' HG23 ' B' ' 15' ' ' VAL . 72.0 mt -70.61 -21.73 62.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.997 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.3 t70 -81.05 -38.51 27.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.55 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.772 HE21 ' HA ' ' A' ' 97' ' ' ALA . 28.8 tt0 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' B' ' 12' ' ' LEU . 34.0 m -66.44 -25.6 35.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.145 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.672 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -57.6 -47.08 83.15 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.313 175.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -60.67 -44.36 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.22 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.13 -56.41 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.698 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.5 ' HA3' HD22 ' A' ' 24' ' ' ASN . . . -62.35 -43.61 98.83 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.409 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -64.68 -26.66 68.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.889 0.376 . . . . 0.0 110.699 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.99 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.54 0.209 . . . . 0.0 110.442 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.43 HD22 HD21 ' B' ' 67' ' ' LEU . 99.1 mt -68.46 -34.29 75.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.61 50.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.629 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.511 ' OD1' ' HB2' ' B' ' 27' ' ' ARG . 10.9 p30 -97.83 -32.47 11.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.983 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.77 -99.88 2.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.709 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.38 -10.87 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -172.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.511 ' HB2' ' OD1' ' B' ' 24' ' ' ASN . 91.7 mtt180 -81.59 -10.9 59.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.303 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.447 ' HB3' HD23 ' A' ' 12' ' ' LEU . 94.6 mt -67.65 -18.57 65.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.278 177.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -62.9 -29.12 70.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.144 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.52 -48.86 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.904 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.712 HD13 HD22 ' B' ' 67' ' ' LEU . 90.0 mt -61.32 -37.48 83.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.6 -48.07 83.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.623 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.06 -42.14 89.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.626 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.3 mm? -66.61 -30.34 70.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.776 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.07 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 110.501 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -97.68 -19.33 18.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.723 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.88 153.82 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.619 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -78.47 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.72 0.295 . . . . 0.0 110.338 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.619 ' HD2' ' O ' ' B' ' 38' ' ' GLU . 2.4 mpt_? -138.62 163.69 31.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.368 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.48 164.81 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -46.59 -45.67 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.506 ' HG2' HD23 ' B' ' 52' ' ' LEU . 47.3 mt-10 -59.46 -51.9 67.91 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.57 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.213 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.494 HG21 HD23 ' B' ' 59' ' ' LEU . 74.3 mt -60.64 -47.39 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.497 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.52 94.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.249 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.9 m -64.97 -48.8 72.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.216 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.02 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.74 -10.79 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 35.85 21.8 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.784 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.417 ' HB2' ' HB ' ' B' ' 54' ' ' THR . 24.1 ptp -130.78 -178.47 4.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -100.86 164.67 11.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.506 HD23 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -55.78 -41.06 73.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.259 . . . . 0.0 110.912 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.3 p -61.25 -46.49 90.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.34 0.59 . . . . 0.0 110.744 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.417 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 2.9 m -62.19 -49.03 77.4 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.405 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.205 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.5 t -53.97 -48.24 70.53 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.33 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.341 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -65.82 -44.23 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.494 HD23 HG21 ' B' ' 44' ' ' ILE . 82.5 mt -59.6 -49.07 79.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.531 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.33 -26.64 67.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 111.059 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -60.01 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.446 ' HG ' HG21 ' B' ' 68' ' ' VAL . 2.2 pt? -76.84 -12.3 59.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.221 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -68.52 -37.72 80.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.9 m -71.12 -30.65 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.242 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.58 -15.66 68.77 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.985 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.71 17.09 50.04 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.535 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.712 HD22 HD13 ' B' ' 31' ' ' LEU . 7.2 mp -86.97 -48.01 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.81 0.338 . . . . 0.0 111.328 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.446 HG21 ' HG ' ' B' ' 62' ' ' LEU . 31.0 m -116.84 159.74 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.224 0.535 . . . . 0.0 111.42 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.599 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -128.13 155.43 44.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.412 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.65 139.89 52.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.919 0.39 . . . . 0.0 111.801 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.533 ' HD3' ' NH1' ' B' ' 80' ' ' ARG . 28.7 mtp85 -136.13 130.98 34.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.06 174.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -86.23 105.66 16.77 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.464 ' HB2' ' CD2' ' B' ' 78' ' ' TYR . 51.9 mt-10 -120.23 128.82 53.71 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.39 -108.34 2.49 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -126.94 8.15 6.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.101 0.477 . . . . 0.0 111.07 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -132.21 156.37 46.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 111.303 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -97.01 120.3 37.1 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.471 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.464 ' CD2' ' HB2' ' B' ' 73' ' ' GLU . 72.2 m-85 -95.42 141.07 29.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.319 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.434 ' O ' HD13 ' B' ' 34' ' ' LEU . 27.7 m-85 -114.28 136.45 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.001 174.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.533 ' NH1' ' HD3' ' B' ' 71' ' ' ARG . 9.1 ptp85 -143.07 177.01 8.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.211 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' B' ' 87' ' ' ALA . 48.5 mm -67.78 135.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.599 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -58.23 -48.85 79.09 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.27 168.16 32.5 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.486 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -36.15 81.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.157 0.503 . . . . 0.0 110.76 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' B' ' 67' ' ' LEU . 42.4 t -65.82 -40.28 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.424 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.514 ' HB2' HG23 ' B' ' 81' ' ' ILE . . . -62.54 -44.72 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -70.17 -22.78 62.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.458 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.441 HD21 HD22 ' A' ' 92' ' ' LEU . 3.1 tm? -68.18 -49.84 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -65.07 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.289 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.93 -43.58 82.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.442 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -47.26 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.096 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.529 ' HA ' HG11 ' B' ' 96' ' ' VAL . 22.5 m -65.77 -28.93 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.51 -48.82 59.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.15 0.5 . . . . 0.0 109.987 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.7 t -63.5 -48.25 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.392 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' B' ' 93' ' ' VAL . 12.5 p -62.11 -37.28 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.558 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -64.35 -52.27 59.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 110.492 178.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.58 ' HA ' HD11 ' B' ' 101' ' ' LEU . 15.9 t70 -64.42 -35.16 79.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.043 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.09 -46.61 83.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.318 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -74.15 -23.32 59.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.689 HD12 HE22 ' A' ' 14' ' ' GLN . 71.8 mt -60.3 -66.63 0.49 Allowed 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 173.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 44.84 -91.94 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.477 1.111 . . . . 0.0 112.402 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -139.89 75.65 1.52 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.153 0.502 . . . . 0.0 109.737 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -71.47 87.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.905 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -163.74 -83.97 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.923 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -169.76 170.62 7.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.31 -61.49 1.99 Allowed 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.011 174.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 19.9 m80 . . . . . 0 C--O 1.245 0.831 0 CA-C-O 118.226 -0.893 . . . . 0.0 109.66 171.034 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.92 -47.09 0.61 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.657 0.783 . . . . 0.0 112.099 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.9 140.99 7.95 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -63.82 104.3 0.67 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.962 0.41 . . . . 0.0 109.994 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -70.25 123.35 21.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.385 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.63 -11.31 57.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.164 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 7' ' ' ARG . 24.1 ttt180 -65.24 -23.08 66.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.51 178.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.412 ' HZ1' ' CG ' ' B' ' 32' ' ' ASP . 34.3 ttmt -63.17 -30.76 71.85 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.616 175.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.05 70.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -34.65 76.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.167 0.508 . . . . 0.0 110.119 177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.66 -43.0 81.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.61 ' HA ' HG21 ' A' ' 15' ' ' VAL . 76.3 mt -63.71 -27.36 69.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.802 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.84 -51.02 62.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.141 0.496 . . . . 0.0 110.91 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.26 -31.11 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.964 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG21 ' HA ' ' A' ' 12' ' ' LEU . 29.9 m -71.43 -28.14 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.912 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.605 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.8 -35.7 80.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.052 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.86 -43.26 94.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.179 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -59.53 -44.5 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.878 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.73 -37.15 93.79 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.333 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 66.1 mttm -63.38 -30.29 71.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.626 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.77 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' B' ' 16' ' ' ALA . 70.3 mt -97.27 13.26 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.95 -6.49 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.639 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.3 p30 -136.87 138.86 41.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 28' ' ' LEU . . . -83.82 -22.8 54.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.793 -172.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -74.71 -23.62 58.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.396 0.598 . . . . 0.0 112.38 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -85.39 -22.41 28.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.069 0.461 . . . . 0.0 109.995 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 80.5 mt -68.87 -20.81 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.037 176.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -56.3 -35.19 67.25 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.226 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.87 -42.37 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.413 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.72 -44.3 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.31 -34.98 77.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.407 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 tt -76.28 -39.2 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.813 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.12 -5.35 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.355 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.31 -11.35 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.022 0.439 . . . . 0.0 110.696 173.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -81.58 -21.25 38.54 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.32 -119.69 1.55 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.192 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -115.37 144.17 44.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.119 0.485 . . . . 0.0 111.653 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 39' ' ' ARG . 3.4 mmt180 -145.75 148.31 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.755 177.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.75 154.33 30.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.568 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.75 -36.31 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.34 -49.67 75.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.154 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.69 -46.33 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.34 -47.93 80.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.93 87.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.044 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 m -62.71 -42.54 99.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.421 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.64 66.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.951 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 p -97.22 -3.06 41.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.824 0.345 . . . . 0.0 111.482 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.35 62.64 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.551 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -124.27 176.31 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -91.92 163.94 13.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD21 ' HG2' ' A' ' 42' ' ' GLU . 11.1 mp -61.54 -39.2 90.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.813 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -62.61 -46.61 87.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.3 m -61.17 -47.41 86.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.567 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.71 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.164 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.72 -35.96 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.968 -177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.81 87.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.124 0.488 . . . . 0.0 110.551 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -66.44 -41.39 89.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.325 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.492 HD11 ' CD1' ' A' ' 79' ' ' TYR . 85.6 mt -63.49 -35.95 82.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.035 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.22 -38.93 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.44 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.78 -32.99 74.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -68.53 -41.78 79.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.41 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 t -68.6 -32.6 72.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.74 -16.96 79.09 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.267 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.13 28.03 19.07 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.254 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.502 ' HA ' HG11 ' A' ' 86' ' ' VAL . 3.2 mm? -92.38 -53.26 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.494 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -126.55 158.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 112.029 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.95 172.9 6.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.408 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.6 132.85 44.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.045 0.45 . . . . 0.0 111.53 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -122.8 128.56 50.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.101 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -88.56 101.71 14.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.103 0.478 . . . . 0.0 110.071 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 1.1 tm-20 -107.15 113.86 27.55 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.02 -103.69 1.35 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.617 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -118.29 -16.8 9.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.088 0.471 . . . . 0.0 110.824 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -104.99 153.57 21.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.57 0.7 . . . . 0.0 112.033 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.4 117.54 31.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.203 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.406 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 74.6 m-85 -95.92 133.63 39.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.019 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.492 ' CD1' HD11 ' A' ' 59' ' ' LEU . 23.5 m-85 -108.57 139.74 42.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.28 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.61 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 48.6 ttp180 -147.97 145.82 28.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.422 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.8 mt -61.73 129.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 -9.86 58.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -169.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.31 149.63 13.16 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.839 178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.58 -29.94 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.877 0.338 . . . . 0.0 110.145 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.09 -43.86 67.13 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 173.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 67' ' ' LEU . 60.8 t -65.25 -44.19 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.485 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.01 96.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.1 mtp180 -64.71 -34.97 79.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.002 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.79 -46.71 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.44 -38.84 85.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' O ' HG22 ' A' ' 95' ' ' VAL . . . -67.85 -42.16 81.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.46 -52.73 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.506 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.12 -33.01 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.045 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.79 -43.24 80.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.853 0.359 . . . . 0.0 110.474 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 91' ' ' ALA . 99.0 t -68.49 -48.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.366 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.511 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 95.6 t -59.24 -39.04 77.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.1 77.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.658 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.36 66.4 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.83 -10.93 59.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.792 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.511 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -90.75 -22.95 20.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.863 0.364 . . . . 0.0 110.953 -178.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 pp -97.11 -1.7 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.773 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.6 107.06 0.19 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.666 0.604 . . . . 0.0 110.228 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -140.88 33.97 1.77 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.359 0.599 . . . . 0.0 110.692 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -125.54 -48.36 1.68 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 171.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -80.78 96.74 7.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.683 174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -127.67 100.57 6.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.419 -177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -141.2 84.47 1.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.023 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.278 176.479 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.19 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.507 0.723 . . . . 0.0 111.57 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.68 -161.36 11.75 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.986 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.8 -4.26 33.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t 70.71 97.44 0.07 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.39 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.88 -17.5 63.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.436 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -70.78 -31.42 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.361 176.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -66.62 -27.95 68.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.528 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.671 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -30.85 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.555 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.46 -36.14 78.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.055 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.23 -30.77 69.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.612 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -77.74 -32.21 52.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.155 0.503 . . . . 0.0 110.025 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -63.99 -47.94 78.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.52 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.24 -25.87 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.434 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -65.81 -33.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -68.19 -36.85 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.976 0.417 . . . . 0.0 110.155 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.418 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 54.1 t -64.83 -49.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.036 175.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.52 -37.9 94.93 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.183 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -59.43 -38.19 80.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.057 0.456 . . . . 0.0 110.589 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.487 ' HB3' ' NH2' ' B' ' 27' ' ' ARG . . . -71.78 -27.86 63.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.518 ' HA ' HD22 ' B' ' 28' ' ' LEU . 79.0 mt -83.95 -17.44 40.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.76 -3.44 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -174.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.441 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 26.9 t-20 -87.06 -38.73 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 110.859 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 16' ' ' ALA . . . 81.94 -59.57 4.86 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.551 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.27 -42.93 99.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.84 0.352 . . . . 0.0 111.407 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.729 HH21 HD22 ' B' ' 62' ' ' LEU . 12.0 ptm180 -68.59 -11.16 59.64 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.881 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.518 HD22 ' HA ' ' B' ' 22' ' ' LEU . 55.7 mt -78.58 -16.36 57.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 -177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.53 -32.92 72.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.412 HG22 HD22 ' B' ' 34' ' ' LEU . 57.3 mt -66.26 -34.15 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.35 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.72 -37.18 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.293 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.412 ' CG ' ' HZ1' ' A' ' 8' ' ' LYS . 17.9 t70 -62.67 -35.57 80.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.298 0.571 . . . . 0.0 110.471 176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.454 ' HA ' ' NE2' ' B' ' 36' ' ' GLN . 51.0 tp -75.82 -29.06 58.53 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.719 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.5 mm? -82.4 -17.15 46.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.572 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.5 -0.51 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.424 0.63 . . . . 0.0 110.094 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' B' ' 33' ' ' LEU . 51.8 mt-30 -104.69 -1.53 26.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.222 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.78 -178.43 17.24 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.6 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.14 135.73 46.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -125.38 138.38 54.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.421 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.545 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -81.51 155.83 25.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.714 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 77' ' ' GLN . 72.5 t -52.8 -55.13 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 O-C-N 123.331 0.394 . . . . 0.0 111.851 -178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -63.31 -35.91 81.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.312 . . . . 0.0 110.809 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.42 83.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.424 HG13 ' O ' ' B' ' 40' ' ' ALA . 87.6 mt -60.6 -46.26 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -54.09 44.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.158 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 m -66.34 -40.92 90.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.26 -28.17 67.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.479 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 31.9 p -100.37 -6.33 25.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.016 0.436 . . . . 0.0 111.158 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.31 35.87 56.16 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.425 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.479 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 23.4 ptp -122.18 169.6 10.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -86.9 162.12 17.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.34 -44.57 80.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.033 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.1 m -58.34 -40.83 83.23 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.1 m -67.44 -52.15 43.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.718 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.45 98.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.266 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -60.7 -42.05 96.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.839 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.78 85.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 110.768 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.438 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.2 m-20 -64.35 -43.08 95.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.412 HD11 HD13 ' B' ' 44' ' ' ILE . 95.9 mt -64.17 -42.05 96.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.423 . . . . 0.0 110.204 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.39 87.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.886 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.729 HD22 HH21 ' B' ' 27' ' ' ARG . 97.2 mt -64.06 -38.99 93.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.004 0.431 . . . . 0.0 110.74 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.31 -35.31 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -72.6 -29.89 63.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.34 -20.35 79.87 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.657 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.64 29.27 9.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.984 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.36 -35.19 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.834 0.317 . . . . 0.0 111.798 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 m -130.04 156.84 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 0.0 112.342 -173.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -119.44 176.98 5.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.332 173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.97 148.89 31.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.438 0.637 . . . . 0.0 112.654 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.559 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 13.8 mmm180 -124.23 96.25 4.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.965 173.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -86.86 133.37 33.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' HE1' ' B' ' 78' ' ' TYR . 37.9 tt0 -133.3 96.74 3.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.077 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.94 -116.46 9.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.751 -174.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.1 p -95.34 3.63 54.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 110.414 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.74 143.79 26.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.278 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.415 ' O ' HG23 ' B' ' 41' ' ' VAL . 53.4 mt-30 -124.61 103.85 8.37 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.052 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.545 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 23.1 m-85 -90.42 157.28 17.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -121.82 162.17 21.4 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.559 ' HD2' ' HG2' ' B' ' 71' ' ' ARG . 15.8 ptm180 -153.88 155.62 36.05 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.42 134.26 29.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.71 -41.78 64.23 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -173.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.69 167.96 33.73 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.243 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.6 -40.82 96.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.79 -27.66 64.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.117 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.41 -37.13 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.286 0.565 . . . . 0.0 109.556 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.75 77.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.199 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 88' ' ' ARG . 45.2 mtp180 -59.84 -36.43 76.8 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.506 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.576 ' O ' HG21 ' B' ' 93' ' ' VAL . 8.1 tt -59.44 -56.52 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.914 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . 0.41 ' HE1' ' HB3' ' B' ' 28' ' ' LEU . 90.4 t80 -58.66 -40.43 83.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.486 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -59.63 -52.08 67.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.576 HG21 ' O ' ' B' ' 89' ' ' LEU . 77.1 t -57.56 -53.64 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.293 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -75.46 -22.31 57.38 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.734 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.486 HG21 ' O ' ' B' ' 91' ' ' ALA . 35.7 t -68.68 -46.22 80.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.409 0.147 . . . . 0.0 110.948 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.27 -25.8 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.505 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.594 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -76.0 -66.87 0.74 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.4 175.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.51 -43.31 90.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.76 -24.06 62.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -85.75 -6.11 59.16 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.73 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' B' ' 97' ' ' ALA . 92.0 mt -81.79 88.52 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.887 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -141.48 130.65 23.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.852 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -177.41 -16.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.635 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -72.71 -23.53 60.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -119.19 92.04 3.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.028 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -70.22 -28.53 65.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.284 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -101.88 130.08 48.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.876 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.181 178.588 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.96 161.18 37.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.436 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.86 -115.22 2.24 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 61.05 83.29 0.15 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.499 0.666 . . . . 0.0 111.202 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p -80.81 6.31 13.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.361 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.22 -25.66 67.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.383 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -69.51 -29.32 66.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.788 0.328 . . . . 0.0 110.47 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 11' ' ' LEU . 62.6 tttm -74.77 -25.17 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.368 0.604 . . . . 0.0 109.654 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.24 -16.11 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.46 63.62 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.024 0.44 . . . . 0.0 110.369 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 8' ' ' LYS . 2.3 mm? -77.42 -33.11 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' HA ' HG22 ' A' ' 15' ' ' VAL . 89.4 mt -70.64 -34.47 72.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.879 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.03 -37.47 87.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.858 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -67.4 -49.16 65.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.966 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 12' ' ' LEU . 27.5 m -68.28 -24.94 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.678 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -35.47 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -64.93 -40.69 95.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.024 0.44 . . . . 0.0 109.954 176.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.32 -48.29 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.347 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.95 -35.58 92.26 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.273 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.79 -39.62 85.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.727 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.009 0.433 . . . . 0.0 110.816 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 28' ' ' LEU . 96.8 mt -69.18 -34.46 74.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.7 16.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -83.72 -28.76 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.81 -83.67 1.58 Allowed Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.018 -0.611 . . . . 0.0 113.63 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -68.43 -20.13 64.63 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -170.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.449 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 60.7 mtt85 -83.32 -8.67 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.749 0.309 . . . . 0.0 111.639 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 22' ' ' LEU . 93.9 mt -70.17 -15.98 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.458 178.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -59.05 -35.37 73.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.381 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.2 -45.12 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.557 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.21 -38.18 85.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.108 0.48 . . . . 0.0 110.5 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.85 -34.14 76.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 54.0 tp -79.93 -23.94 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.463 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD13 ' O ' ' A' ' 79' ' ' TYR . 3.4 mm? -82.92 -11.75 57.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -25.39 66.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.746 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.8 pt20 -93.2 -2.88 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.13 -175.43 20.65 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.197 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -71.83 140.97 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 137.78 51.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.059 -174.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -73.53 152.91 40.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -56.24 -44.12 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.427 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 1.3 mp0 -61.07 -41.82 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.323 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.16 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.778 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 HD13 HD23 ' A' ' 59' ' ' LEU . 79.2 mt -59.67 -48.57 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 177.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.07 67.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.822 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.0 m -57.61 -47.41 82.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.38 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.72 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.3 p -86.68 -5.22 59.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.689 0.28 . . . . 0.0 111.626 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 29.35 57.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.324 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.527 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 61.4 mtt -108.45 164.48 12.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -81.15 161.81 23.91 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -59.49 -38.85 81.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.756 0.313 . . . . 0.0 110.444 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -60.46 -45.24 94.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.578 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.527 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 1.0 OUTLIER -62.87 -53.83 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.713 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.2 -41.85 89.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.483 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 29.3 t -59.28 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.804 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 110.866 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.45 -38.86 74.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.547 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 44' ' ' ILE . 97.3 mt -66.24 -39.76 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.734 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 56' ' ' SER . 96.3 mt-30 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.473 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.48 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.4 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.89 -33.55 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.446 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.2 -35.38 68.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.02 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 t -70.37 -18.84 63.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.368 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.51 -24.73 41.81 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.628 171.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.26 11.29 42.62 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.713 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.37 -37.51 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.83 160.81 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 112.187 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.565 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 50.0 mt-10 -122.27 167.29 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.859 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.73 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.763 0.316 . . . . 0.0 111.321 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -142.98 135.44 27.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.406 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -92.71 141.9 27.95 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.018 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.407 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -140.07 132.53 28.55 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.91 -111.41 4.14 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -118.17 -5.14 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.891 0.377 . . . . 0.0 110.373 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -94.56 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.973 -173.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -101.96 111.61 23.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.525 176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.1 m-85 -97.61 141.34 30.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' CD1' HD11 ' A' ' 59' ' ' LEU . 21.6 m-85 -110.52 143.49 40.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.561 173.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -141.35 160.4 40.21 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.122 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.76 138.98 22.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.701 ' HB2' HG23 ' A' ' 86' ' ' VAL . . . -51.83 -43.22 63.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.5 173.73 41.23 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.468 -0.873 . . . . 0.0 111.821 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' HG3' ' CD ' ' A' ' 88' ' ' ARG . 6.6 tp10 -62.28 -39.08 91.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.013 0.435 . . . . 0.0 109.883 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.3 -36.25 75.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.701 HG23 ' HB2' ' A' ' 82' ' ' ALA . 46.5 t -73.53 -38.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.237 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.39 89.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.23 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' CD ' ' HG3' ' A' ' 84' ' ' GLU . 36.2 mtp180 -68.23 -27.34 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.193 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.39 -51.24 66.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.16 -38.16 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.34 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -65.46 -47.56 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.193 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.55 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.402 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.444 ' HB ' HD13 ' B' ' 89' ' ' LEU . 14.9 p -64.51 -32.23 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.731 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.441 ' HG3' HD21 ' B' ' 11' ' ' LEU . 9.8 tt0 -68.76 -41.78 78.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.225 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 89.4 t -61.76 -52.15 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.901 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.82 -43.34 67.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 121.032 0.444 . . . . 0.0 110.596 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.426 ' O ' ' HG ' ' A' ' 101' ' ' LEU . . . -62.53 -54.37 40.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.794 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.49 -38.48 69.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.949 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 95' ' ' VAL . 44.9 mt-10 -65.64 -54.38 28.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.203 0.525 . . . . 0.0 111.144 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -82.02 -20.17 38.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -168.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 97' ' ' ALA . 48.5 mt -66.77 -23.15 66.04 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.536 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.91 -18.45 15.69 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.066 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -74.86 84.86 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -93.12 -169.85 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.948 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -78.98 94.88 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.8 0.334 . . . . 0.0 110.796 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 61.0 m170 60.07 -142.55 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.954 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -134.79 147.42 49.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.125 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.644 174.754 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.72 151.22 50.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.252 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.26 130.68 3.19 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.212 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -114.73 -80.91 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.624 0.25 . . . . 0.0 111.421 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -123.64 -29.43 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.801 0.334 . . . . 0.0 111.647 -173.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -64.9 -21.82 66.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.913 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -77.21 -29.15 54.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.081 0.467 . . . . 0.0 110.512 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -73.56 -32.57 64.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.983 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.73 -40.93 66.54 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.421 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.5 98.72 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 111.011 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.441 HD21 ' HG3' ' A' ' 94' ' ' GLN . 39.2 tp -71.89 -41.12 68.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.847 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.39 -34.03 77.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.657 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.86 -48.53 81.04 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.681 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.515 ' O ' HG22 ' B' ' 18' ' ' VAL . 22.6 tp60 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.644 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.77 -47.6 87.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.542 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.13 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -62.91 -39.85 95.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.515 HG22 ' O ' ' B' ' 14' ' ' GLN . 60.8 t -64.83 -47.01 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.957 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.81 -33.69 87.67 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.348 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -63.28 -37.16 86.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.76 64.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.989 0.423 . . . . 0.0 110.618 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.559 ' HA ' HD23 ' B' ' 28' ' ' LEU . 92.1 mt -80.42 -26.66 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 78.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.481 0.658 . . . . 0.0 111.798 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -162.31 -52.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.942 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.86 -72.02 0.21 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.842 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -83.31 -12.33 56.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.435 -0.45 . . . . 0.0 111.959 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.09 -22.24 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.264 0.554 . . . . 0.0 109.609 169.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' B' ' 22' ' ' LEU . 42.3 mt -80.74 -9.06 59.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.649 -177.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.3 -30.6 66.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.135 0.493 . . . . 0.0 109.687 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.525 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.0 mt -65.42 -47.5 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.288 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.451 HD12 HD22 ' B' ' 28' ' ' LEU . 87.4 mt -60.41 -43.19 96.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.022 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.45 -42.58 98.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.187 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.14 -43.21 99.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.697 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 75.8 mt -72.94 -18.97 61.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.56 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.22 0.533 . . . . 0.0 109.808 173.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -77.55 -45.6 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.11 151.11 15.89 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.323 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.503 ' CB ' ' HB3' ' B' ' 80' ' ' ARG . 4.8 pt-20 -76.04 133.34 40.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -146.72 159.19 43.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.63 0.252 . . . . 0.0 110.677 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.609 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -82.14 169.58 16.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.923 0.392 . . . . 0.0 111.701 -176.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.13 -44.91 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.541 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.88 -47.75 83.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.641 0.258 . . . . 0.0 110.798 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.89 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.98 -49.59 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.69 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.142 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.22 -43.64 98.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.83 69.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.868 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -93.66 -7.95 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 35.61 25.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.838 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.0 ptp -131.83 170.7 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -91.04 170.72 9.8 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.576 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.34 -42.01 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.156 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -65.37 -41.66 93.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.013 0.435 . . . . 0.0 110.678 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.383 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.322 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m -58.16 -36.9 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.1 77.79 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.812 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.05 -43.48 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.529 HD12 ' CD1' ' B' ' 79' ' ' TYR . 90.2 mt -60.08 -39.85 87.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.183 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.59 -40.44 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.428 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.87 97.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.819 0.342 . . . . 0.0 110.739 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 98.9 mt -66.13 -39.12 89.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' B' ' 68' ' ' VAL . 75.6 tttt -67.72 -38.08 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.302 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.9 m -66.24 -27.43 67.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.553 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.404 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -76.0 -26.62 64.05 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.499 174.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.95 20.71 10.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.41 ' HA ' HG11 ' B' ' 86' ' ' VAL . 3.5 mm? -89.78 -49.27 6.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.736 0.303 . . . . 0.0 111.471 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 29.6 m -115.79 162.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 112.031 -174.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.407 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -124.6 152.62 43.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.915 176.676 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.69 114.37 28.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.207 0.527 . . . . 0.0 111.297 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.597 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 19.4 mmm180 -103.95 94.91 5.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.543 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -78.69 122.72 26.34 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.424 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -135.32 128.37 31.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.4 -115.32 6.97 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.47 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -116.28 -6.17 11.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . 0.599 ' HG3' HH11 ' B' ' 76' ' ' ARG . 8.9 ptt85 -117.53 149.05 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -98.72 131.8 44.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.218 0.532 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.609 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 80.4 m-85 -89.08 129.99 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.026 170.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.529 ' CD1' HD12 ' B' ' 59' ' ' LEU . 27.0 m-85 -108.45 136.57 47.85 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.317 0.58 . . . . 0.0 110.534 177.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.503 ' HB3' ' CB ' ' B' ' 38' ' ' GLU . 15.8 ptm180 -148.07 168.67 21.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 56.9 mt -68.02 134.08 30.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -55.02 -42.67 72.88 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.995 -173.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.21 169.78 30.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.019 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -71.47 -29.33 64.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.161 0.505 . . . . 0.0 109.724 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.394 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' B' ' 67' ' ' LEU . 45.9 t -65.57 -38.96 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.61 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.05 87.79 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.17 0.509 . . . . 0.0 110.456 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.3 -34.65 78.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.931 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.444 HD13 ' HB ' ' A' ' 93' ' ' VAL . 7.3 tt -61.4 -49.27 77.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.088 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -64.75 -43.39 93.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.646 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.493 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -61.23 -46.95 88.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 63.1 tp -54.3 -53.11 58.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.655 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.447 HG23 HG11 ' A' ' 15' ' ' VAL . 13.8 p -64.45 -35.07 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.182 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -72.11 -40.53 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.493 HG21 ' O ' ' B' ' 91' ' ' ALA . 53.3 t -61.6 -50.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.08 -31.09 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.677 0.275 . . . . 0.0 111.048 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.28 -56.02 11.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.385 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 9.6 t70 -57.92 -34.7 70.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.267 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.74 -51.03 71.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -89.78 -3.61 58.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.721 0.296 . . . . 0.0 111.364 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.34 -14.36 53.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.457 0.646 . . . . 0.0 109.634 171.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -101.53 -51.7 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.0 90.8 3.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.161 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -168.6 130.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 68.36 149.12 0.06 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.156 0.503 . . . . 0.0 110.059 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -83.19 -158.65 0.3 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -95.67 95.63 8.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 169.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 74.7 t60 . . . . . 0 C--O 1.243 0.747 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.822 -170.19 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.89 155.96 19.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.043 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -126.31 -159.76 10.36 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.413 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -83.02 113.16 20.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.982 0.42 . . . . 0.0 110.282 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -108.77 7.35 26.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.06 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.52 -24.54 56.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.198 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -70.06 -40.61 74.97 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -61.71 -48.78 79.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.727 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.33 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.113 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.27 86.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' O ' HG22 ' A' ' 15' ' ' VAL . 88.0 mt -66.71 -38.71 87.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.167 0.508 . . . . 0.0 109.918 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.21 -28.37 70.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.682 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.09 -33.39 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.234 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -67.23 -40.6 86.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.703 HG12 HD21 ' B' ' 22' ' ' LEU . 87.6 t -61.96 -42.28 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.276 174.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.774 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -57.37 -54.85 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.79 -29.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' B' ' 22' ' ' LEU . . . -68.03 -41.57 87.03 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.268 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 64.7 mtpt -69.15 -32.39 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.636 0.255 . . . . 0.0 111.145 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.21 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.377 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 28' ' ' LEU . 8.6 tt -87.49 -14.16 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.281 0.563 . . . . 0.0 110.476 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.41 -6.36 53.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.532 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.23 92.65 8.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 178.343 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.461 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . -60.75 -30.54 72.88 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.542 -0.754 . . . . 0.0 113.209 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -73.26 -22.38 60.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.92 0.391 . . . . 0.0 110.506 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -94.3 -15.8 24.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 90.7 mt -69.83 -24.5 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.84 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.525 ' OE1' HG22 ' A' ' 48' ' ' THR . 22.6 tm0? -61.57 -33.28 73.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.799 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.405 HG22 HD21 ' A' ' 59' ' ' LEU . 57.2 mt -69.42 -39.29 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.207 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD11 HD23 ' A' ' 67' ' ' LEU . 77.8 mt -60.98 -44.93 96.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.558 176.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.23 -39.35 82.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.403 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.9 tp -68.11 -37.66 81.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.406 HD21 HD11 ' A' ' 44' ' ' ILE . 84.9 mt -77.41 -24.91 50.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.74 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 110.152 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.59 0.91 54.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.782 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.56 148.84 4.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.41 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.27 140.88 50.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.534 ' HG2' ' HB2' ' A' ' 43' ' ' ALA . 5.5 ttm180 -146.99 150.02 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.535 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.579 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -81.74 157.04 24.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 77' ' ' GLN . 98.4 t -53.02 -45.53 52.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 O-C-N 123.427 0.454 . . . . 0.0 111.988 -177.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.64 -43.49 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.171 0.51 . . . . 0.0 110.578 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . . . -69.86 -36.01 75.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.535 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 40' ' ' ALA . 85.3 mt -64.74 -50.25 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.124 175.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.22 76.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.508 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.9 m -63.9 -49.84 71.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.18 72.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.72 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.525 HG22 ' OE1' ' A' ' 29' ' ' GLN . 40.5 p -83.31 -14.31 53.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.963 0.411 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.84 31.96 51.62 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.149 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 57.4 mtt -116.47 -178.82 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.412 . . . . 0.0 110.239 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -94.5 161.6 14.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.94 -50.52 72.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.632 0.253 . . . . 0.0 111.188 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -59.47 -42.41 91.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.702 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -59.13 -53.61 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.82 85.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.823 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.23 -35.87 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.7 -42.98 81.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -69.36 -39.16 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.429 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 ' CD1' ' A' ' 79' ' ' TYR . 68.4 mt -65.17 -41.0 95.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.82 -39.56 81.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.97 91.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.759 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.28 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.13 0.49 . . . . 0.0 110.237 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.55 -46.71 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.317 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 p -66.01 -29.64 70.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.223 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.83 -35.09 84.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.469 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.35 16.27 10.51 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.415 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.554 ' HA ' HG12 ' A' ' 86' ' ' VAL . 8.1 mp -88.81 -47.27 8.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 111.757 -177.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.91 157.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.462 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.86 157.41 28.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.987 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.31 114.98 26.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.824 0.345 . . . . 0.0 111.253 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.86 104.88 15.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -88.27 116.85 26.77 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -111.77 94.05 4.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.556 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.72 3.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.558 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.5 p -104.21 -4.93 22.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 111.222 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -103.0 137.74 40.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.959 0.409 . . . . 0.0 110.523 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.486 ' O ' HG23 ' A' ' 41' ' ' VAL . 43.9 tt0 -107.43 113.13 26.29 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.644 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 50.3 m-85 -97.32 147.81 23.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.32 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.504 ' CD1' HD13 ' A' ' 59' ' ' LEU . 19.1 m-85 -122.91 143.2 50.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.289 0.566 . . . . 0.0 111.262 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 80' ' ' ARG . 26.0 ttt85 -150.26 156.82 42.27 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.823 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.484 HG21 ' HB1' ' A' ' 87' ' ' ALA . 55.2 mt -60.82 129.36 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.81 74.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.494 -171.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.3 154.14 25.59 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.168 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.4 -34.17 77.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.3 -40.8 98.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.58 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 67' ' ' LEU . 57.5 t -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.175 0.512 . . . . 0.0 110.326 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 81' ' ' ILE . . . -62.48 -46.0 90.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.92 -24.07 62.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.438 ' O ' HG21 ' A' ' 93' ' ' VAL . 6.1 tt -64.66 -55.01 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.83 -38.21 84.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.435 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.49 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.405 ' O ' HG21 ' A' ' 96' ' ' VAL . 10.5 tt -60.84 -44.15 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 89' ' ' LEU . 73.1 t -58.61 -40.61 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.606 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 34.3 tt0 -62.16 -45.35 93.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.77 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 92' ' ' LEU . 92.7 t -58.45 -39.49 75.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.57 74.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.1 -40.41 85.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.598 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -60.13 -36.55 77.74 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.609 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -79.18 -21.7 46.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.41 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.9 -31.39 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.405 . . . . 0.0 110.357 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.84 84.66 5.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.155 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -74.0 -35.39 64.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.95 121.92 38.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.611 173.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -92.63 -158.4 0.59 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.632 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -63.53 -39.91 95.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 51.54 -174.36 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 O-C-N 124.475 1.109 . . . . 0.0 113.476 171.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 . . . . . 0 C--O 1.245 0.832 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.788 177.268 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.37 146.37 50.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 0.0 111.072 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.27 -39.94 0.28 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -91.53 -79.44 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.9 m 48.58 51.91 14.69 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.451 0.643 . . . . 0.0 111.072 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.61 -33.21 75.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.853 -173.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' B' ' 7' ' ' ARG . 9.3 ttp180 -71.91 -37.15 70.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.549 -174.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -68.69 -35.06 76.69 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.487 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.54 77.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.889 0.376 . . . . 0.0 110.438 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.26 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.747 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.65 -43.12 94.66 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.013 0.435 . . . . 0.0 110.624 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.18 -32.85 72.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.041 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.6 -36.37 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -64.27 -46.22 84.66 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.163 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.417 HG22 HD13 ' A' ' 28' ' ' LEU . 34.3 m -67.68 -31.03 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.34 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -64.82 -38.37 90.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.13 -47.81 83.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.984 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.47 89.95 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.405 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -68.72 -31.04 69.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.497 ' HB1' ' HA3' ' B' ' 65' ' ' GLY . . . -69.33 -31.95 70.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.217 0.532 . . . . 0.0 110.146 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.703 HD21 HG12 ' A' ' 15' ' ' VAL . 10.1 tt -76.07 -35.84 59.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.618 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.489 ' HB1' ' HG2' ' A' ' 20' ' ' LYS . . . -77.52 76.45 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.863 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.411 ' HB3' ' HD2' ' B' ' 27' ' ' ARG . 36.4 m-80 -133.19 -45.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.05 -107.29 1.37 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.46 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -65.03 -21.04 66.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.764 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD2' ' HB3' ' B' ' 24' ' ' ASN . 100.0 mtt180 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.71 -24.6 62.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 0.0 110.519 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -68.15 -24.53 65.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.154 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -72.89 -37.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.143 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.423 HD11 HD23 ' B' ' 67' ' ' LEU . 84.2 mt -61.53 -41.6 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.462 . . . . 0.0 109.772 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.4 -41.94 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.584 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.429 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 16.0 tp -67.61 -35.89 79.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.557 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -80.53 -19.95 44.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.964 0.411 . . . . 0.0 111.124 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.85 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.334 0.588 . . . . 0.0 109.959 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.647 ' HB2' HH21 ' B' ' 39' ' ' ARG . 51.2 mt-30 -77.8 -21.13 52.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.09 168.29 22.75 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.792 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -77.43 125.2 28.95 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.647 HH21 ' HB2' ' B' ' 36' ' ' GLN . 48.4 mtt-85 -132.24 149.0 52.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -173.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.57 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -80.99 160.29 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.09 -44.17 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.722 0.296 . . . . 0.0 111.231 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.471 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.9 mm-40 -59.3 -38.51 80.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.45 -48.24 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.406 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.409 HG13 ' O ' ' B' ' 40' ' ' ALA . 77.7 mt -57.95 -50.08 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.017 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.46 89.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.308 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 33.2 m -65.35 -43.91 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.38 72.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.813 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -96.15 -9.22 31.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.688 0.28 . . . . 0.0 111.614 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.8 35.3 62.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.169 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.9 mtm -121.96 169.45 10.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -88.42 155.85 19.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.752 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' B' ' 42' ' ' GLU . 92.9 mt -54.35 -47.88 72.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.605 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.2 p -59.2 -49.66 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.273 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.5 m -56.55 -46.52 80.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.864 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.4 -55.67 19.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -56.15 -40.97 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.405 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.2 68.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.477 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.439 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 5.5 p30 -74.92 -26.32 59.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.712 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' B' ' 79' ' ' TYR . 74.3 mt -64.62 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.295 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.78 -38.35 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.142 0.496 . . . . 0.0 109.995 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.75 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.643 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 94.6 mt -64.07 -32.83 74.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.33 -38.63 88.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 110.174 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -66.21 -25.81 67.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.721 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.497 ' HA3' ' HB1' ' B' ' 21' ' ' ALA . . . -79.25 -16.29 78.64 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.16 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.82 16.16 49.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.312 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.423 HD23 HD11 ' B' ' 31' ' ' LEU . 10.3 mp -90.74 -45.55 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -176.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.56 165.97 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.962 0.41 . . . . 0.0 111.565 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.47 167.91 20.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.23 144.01 45.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.188 0.518 . . . . 0.0 111.618 -175.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.464 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 31.0 mmm-85 -116.89 100.28 7.67 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.914 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -78.97 96.38 5.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -114.15 112.03 22.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.426 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.22 -103.46 0.66 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.182 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -124.64 19.84 8.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.082 0.468 . . . . 0.0 110.961 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' B' ' 76' ' ' ARG . 62.0 mtt85 -124.81 151.67 44.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -111.44 107.94 17.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.969 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.57 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 91.9 m-85 -99.87 148.85 24.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.121 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.467 ' CD1' HD13 ' B' ' 59' ' ' LEU . 45.5 m-85 -129.71 148.09 51.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.596 173.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -160.38 160.77 32.71 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.455 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 68.5 mt -57.89 133.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.52 179.22 40.02 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.772 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.72 -35.43 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.965 0.412 . . . . 0.0 110.686 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.41 -47.13 82.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.119 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 21.7 t -69.39 -39.91 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.378 . . . . 0.0 110.425 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.94 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -74.43 -34.8 63.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.708 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.89 -48.85 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.13 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.76 -39.64 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.463 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -64.83 -46.86 80.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.387 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -46.13 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.77 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.534 ' HA ' HG12 ' B' ' 96' ' ' VAL . 7.6 p -69.05 -29.76 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.954 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -69.62 -44.69 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.254 174.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.463 HG21 ' O ' ' B' ' 91' ' ' ALA . 99.1 t -62.9 -43.72 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' B' ' 93' ' ' VAL . 11.2 p -62.76 -37.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.723 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.36 -48.57 33.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.135 0.493 . . . . 0.0 110.733 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.99 -48.22 77.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.62 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -83.44 -22.02 32.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -171.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -82.77 -25.42 32.81 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 122.221 -0.299 . . . . 0.0 111.403 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.69 -20.66 60.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.856 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.49 102.14 0.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.838 0.352 . . . . 0.0 110.219 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -67.23 -24.89 65.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 0.0 110.128 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -91.59 86.7 6.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -77.75 -55.91 4.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.638 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -139.49 143.08 37.32 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -100.56 -21.47 15.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.719 0.295 . . . . 0.0 110.369 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.457 -0.783 . . . . 0.0 109.582 -179.451 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.776 0.322 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.4 -56.45 3.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.54 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.67 -36.65 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.098 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' HG2' ' H ' ' A' ' 6' ' ' ASP . 64.3 tt0 70.93 151.93 0.11 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.232 0.613 . . . . 0.0 111.048 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 m -69.28 -36.26 76.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.032 0.444 . . . . 0.0 110.469 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.5 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 4.7 t0 -84.24 53.78 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.429 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -64.5 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.89 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -64.62 -22.56 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.54 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -26.7 67.71 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.928 0.394 . . . . 0.0 110.537 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.83 53.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.307 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.412 ' O ' HG22 ' A' ' 15' ' ' VAL . 89.8 mt -71.32 -41.96 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 109.652 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.22 -20.71 63.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.348 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.02 -44.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -64.89 -41.66 95.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.03 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 11' ' ' LEU . 72.8 t -60.38 -45.41 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.44 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.514 ' HB1' ' CB ' ' B' ' 24' ' ' ASN . . . -64.39 -20.96 66.47 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.593 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -79.72 -42.27 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.943 0.402 . . . . 0.0 110.264 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.04 -46.79 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.034 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.31 82.29 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 88.8 tttt -64.34 -37.51 87.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.713 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 -38.0 65.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.314 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 42.6 tp -90.73 25.06 2.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.11 27.77 0.24 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.675 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.817 HD21 HD11 ' A' ' 28' ' ' LEU . 7.0 m120 63.56 -156.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.581 167.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.63 -154.64 20.37 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.39 -176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.79 -11.3 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.27 0.557 . . . . 0.0 110.912 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HG2' ' HB3' ' A' ' 58' ' ' ASN . 66.6 mtm180 -70.04 -25.31 63.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.461 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.817 HD11 HD21 ' A' ' 24' ' ' ASN . 70.0 mt -71.08 -27.92 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.271 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.3 -32.25 71.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 109.743 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 67.0 mt -67.52 -47.71 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.889 175.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD13 HD23 ' A' ' 28' ' ' LEU . 94.5 mt -60.31 -40.15 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.585 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.44 -31.43 69.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.781 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 56.8 tp -83.2 -35.09 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.203 178.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.2 mt -75.07 -29.07 60.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.824 0.345 . . . . 0.0 111.293 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.87 -25.13 65.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.945 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -98.09 15.11 25.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.06 153.53 6.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.608 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 9.8 pt-20 -71.8 132.79 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.811 0.339 . . . . 0.0 110.398 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.509 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 16.2 mmt180 -128.56 146.48 50.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.251 -175.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 159.25 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -51.3 -46.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.351 0.407 . . . . 0.0 111.669 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.41 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.434 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.23 -47.94 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.66 77.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.266 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 m -63.15 -49.35 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.13 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.41 ' HB ' ' HE3' ' A' ' 50' ' ' MET . 21.0 p -85.92 -15.07 42.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.834 0.349 . . . . 0.0 111.474 -178.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.12 14.29 80.75 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.262 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.41 ' HE3' ' HB ' ' A' ' 48' ' ' THR . 68.4 mtm -119.69 122.87 42.44 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -68.13 167.56 13.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 111.486 -172.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.07 -41.92 36.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -168.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -56.21 -55.37 34.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.797 0.332 . . . . 0.0 111.492 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.6 m -65.84 -40.22 91.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.094 0.474 . . . . 0.0 110.539 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.35 65.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -59.43 -40.35 86.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.783 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.9 91.91 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.932 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.47 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 41.0 m-80 -75.66 -37.57 59.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.043 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.37 -46.2 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -61.17 -42.02 97.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.56 90.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' O ' HD22 ' A' ' 67' ' ' LEU . 93.3 mt -67.34 -35.18 78.87 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -75.12 -37.32 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -67.15 -29.27 68.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.65 73.04 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.64 18.87 42.98 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.71 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.52 ' HG ' HG11 ' A' ' 68' ' ' VAL . 1.3 pt? -104.83 -13.27 15.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.002 0.901 . . . . 0.0 111.308 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.52 HG11 ' HG ' ' A' ' 67' ' ' LEU . 21.1 m -129.46 161.47 38.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 174.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.14 155.97 49.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.328 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 79' ' ' TYR . . . -123.93 138.2 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.224 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -118.66 144.68 46.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.19 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -97.11 118.36 33.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.614 0.245 . . . . 0.0 110.926 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -126.35 105.35 8.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.002 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -103.08 1.21 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.749 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -115.7 -8.7 12.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.525 0.679 . . . . 0.0 109.882 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -97.63 152.2 19.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.642 0.734 . . . . 0.0 112.302 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.74 114.54 27.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.747 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -97.14 123.16 40.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 70' ' ' ALA . 51.2 m-85 -101.91 143.19 32.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.785 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.56 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 38.6 ttp85 -155.55 163.19 40.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.447 ' CG2' ' HB ' ' A' ' 86' ' ' VAL . 47.3 mm -55.84 132.84 19.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.62 76.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.771 0.32 . . . . 0.0 111.773 -174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.93 155.19 26.05 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.067 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.88 -34.16 65.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.118 0.485 . . . . 0.0 111.074 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.77 -27.23 68.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.301 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.452 HG12 ' HB2' ' A' ' 67' ' ' LEU . 46.9 t -76.38 -34.86 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.47 89.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.933 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 88' ' ' ARG . 19.8 mtm105 -69.97 -29.61 66.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.029 175.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.455 ' HG ' HD21 ' B' ' 92' ' ' LEU . 6.2 tt -65.45 -47.97 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 175.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.09 -37.39 87.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.156 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.501 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.93 -44.17 93.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' HG21 ' A' ' 96' ' ' VAL . 60.7 tp -58.7 -50.66 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.467 HG21 HG13 ' B' ' 15' ' ' VAL . 8.0 p -67.01 -29.97 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.044 0.45 . . . . 0.0 110.542 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -70.69 -36.45 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.909 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.3 t -62.63 -41.66 93.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 92' ' ' LEU . 84.0 t -53.58 -41.87 47.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.35 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.33 -58.34 3.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.987 0.422 . . . . 0.0 111.143 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.51 -49.02 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.705 -171.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -84.11 -10.09 58.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 7.6 m-70 -88.41 -10.45 49.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.3 0.571 . . . . 0.0 109.822 173.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.3 mp -76.85 -16.78 59.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 167.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 64.55 -87.42 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.795 169.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -127.2 -36.47 2.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.173 0.511 . . . . 0.0 109.833 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -137.36 -92.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.9 t60 67.34 -22.8 0.11 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 166.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -82.62 80.23 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.674 0.75 . . . . 0.0 112.341 -171.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -86.39 85.87 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.42 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.946 -175.246 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.63 161.92 18.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.206 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' B' ' 7' ' ' ARG . . . -76.51 70.01 2.25 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.644 -0.582 . . . . 0.0 111.644 176.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -106.13 -27.01 11.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.102 0.477 . . . . 0.0 110.912 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.6 p -110.93 6.98 21.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.475 0.655 . . . . 0.0 109.91 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -151.19 44.48 0.8 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.775 -170.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' B' ' 3' ' ' GLY . 72.2 mtt-85 -70.7 -53.42 15.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.696 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -67.7 -24.95 65.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.985 0.421 . . . . 0.0 110.277 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -28.72 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.721 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.519 . . . . 0.0 110.211 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.46 ' O ' HG22 ' B' ' 15' ' ' VAL . 4.1 mm? -70.12 -44.46 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.94 -46.45 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.095 0.474 . . . . 0.0 109.889 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.49 -44.89 93.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.603 HG11 ' ND2' ' A' ' 24' ' ' ASN . 81.5 t -59.24 -36.74 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.294 175.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.7 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -58.92 -41.65 87.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.625 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -68.12 -42.12 80.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.86 -51.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.267 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.36 72.61 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.41 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -51.26 -39.26 56.35 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.816 0.446 . . . . 0.0 111.932 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -34.56 65.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.433 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' B' ' 22' ' ' LEU . 30.8 tp -91.9 2.75 56.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 -176.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.04 83.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.238 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.514 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -176.18 169.77 2.74 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.539 -174.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.8 169.64 12.4 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.433 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.451 ' HD2' ' SD ' ' B' ' 50' ' ' MET . 0.2 OUTLIER -78.74 -13.77 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 109.647 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' B' ' 58' ' ' ASN . 16.9 ptt180 -60.63 -18.88 56.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.16 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.77 -32.01 72.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -67.98 -28.79 67.74 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.459 0.647 . . . . 0.0 110.162 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.406 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 69.4 mt -69.32 -38.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.691 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.55 -38.62 88.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.288 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.64 -44.67 77.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' B' ' 44' ' ' ILE . 60.0 tp -72.25 -41.47 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.177 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 78.8 mt -67.84 -26.7 66.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 111.268 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.64 -10.46 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.192 0.52 . . . . 0.0 110.478 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -102.62 12.1 36.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.161 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.26 150.76 7.17 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.172 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.76 139.17 48.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.738 ' HG2' ' HB3' ' B' ' 43' ' ' ALA . 14.7 ttm-85 -151.33 152.25 32.9 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.974 -171.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -80.47 159.89 25.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.975 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.46 -44.68 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.223 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.47 ' HA ' HD11 ' B' ' 52' ' ' LEU . 2.0 mp0 -55.76 -51.53 67.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.156 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.738 ' HB3' ' HG2' ' B' ' 39' ' ' ARG . . . -67.13 -36.85 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.484 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . 84.9 mt -61.2 -47.4 93.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.392 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.34 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.853 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.4 m -62.62 -46.64 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.26 96.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.817 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 8.9 p -86.28 -9.12 57.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 0.0 111.468 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.25 25.82 72.11 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.161 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.451 ' SD ' ' HD2' ' B' ' 26' ' ' ARG . 68.7 mtm -107.62 171.29 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -78.43 151.0 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.096 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.47 HD11 ' HA ' ' B' ' 42' ' ' GLU . 3.9 mm? -48.76 -46.16 40.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.586 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -67.49 -38.34 84.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.304 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -60.67 -48.52 81.41 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.201 0.525 . . . . 0.0 110.235 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.38 76.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.687 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.499 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 45.2 t -57.04 -46.53 82.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.238 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.93 81.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.845 0.355 . . . . 0.0 111.232 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.572 ' HB3' ' HB3' ' B' ' 27' ' ' ARG . 38.9 m-80 -71.92 -35.49 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.002 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.405 HD12 ' CD1' ' B' ' 79' ' ' TYR . 80.5 mt -62.8 -45.91 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.81 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' B' ' 56' ' ' SER . 94.4 mt-30 -62.03 -38.16 87.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.32 88.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.758 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.1 -39.26 94.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.92 -33.0 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.401 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -69.16 -28.51 66.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.35 -8.57 71.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.386 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 22.63 43.81 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.708 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.61 -42.92 13.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.51 155.34 40.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 0.0 111.868 -176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.98 161.9 14.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.57 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.49 119.13 25.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -103.24 106.68 17.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 72' ' ' ARG . 30.0 ttt180 -97.34 104.34 16.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.384 0.611 . . . . 0.0 111.167 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -100.71 109.91 21.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.483 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.68 -129.69 30.6 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.471 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 5.8 p -94.01 13.43 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.884 0.373 . . . . 0.0 111.469 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -108.65 139.1 43.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.44 . . . . 0.0 111.159 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.489 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 27.3 mt-30 -112.05 103.99 12.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.128 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.42 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 90.0 m-85 -92.45 121.22 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.978 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.405 ' CD1' HD12 ' B' ' 59' ' ' LEU . 60.0 m-85 -100.9 147.44 26.12 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 121.215 0.531 . . . . 0.0 110.889 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' B' ' 80' ' ' ARG . 29.5 ttm180 -150.58 157.47 43.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.43 131.11 25.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.78 62.49 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.402 0.439 . . . . 0.0 111.907 -174.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.03 166.84 28.4 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.481 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.553 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 1.1 pm0 -68.84 -26.38 65.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.687 0.244 . . . . 0.0 110.389 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.945 0.403 . . . . 0.0 110.079 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.14 -40.59 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.073 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.36 93.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.162 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 64.9 mtm-85 -71.86 -23.81 61.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.63 -48.17 64.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.96 -34.88 79.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.448 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -70.09 -36.68 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.455 HD21 ' HG ' ' A' ' 89' ' ' LEU . 47.4 tp -63.94 -48.03 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.744 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.51 -27.7 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.206 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' B' ' 91' ' ' ALA . 7.2 tt0 -63.31 -43.7 97.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.2 t -63.75 -46.66 93.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -38.42 51.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.655 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.72 -64.11 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.457 ' O ' ' HB2' ' B' ' 102' ' ' GLU . 24.0 t70 -52.61 -45.0 66.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.384 -173.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.93 -29.57 65.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -96.7 -2.73 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.763 ' HA ' ' HB3' ' B' ' 105' ' ' HIS . 2.5 pt? -128.76 9.51 5.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.289 0.566 . . . . 0.0 109.959 170.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' B' ' 98' ' ' ASP . 1.2 tm-20 -68.0 -47.59 68.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.906 -174.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -82.98 66.02 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.615 0.245 . . . . 0.0 111.251 -176.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 11.1 t60 57.77 29.62 17.7 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.657 173.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . 0.763 ' HB3' ' HA ' ' B' ' 101' ' ' LEU . 1.7 t-80 -94.64 23.05 5.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.479 0.657 . . . . 0.0 110.013 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -59.27 118.53 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.878 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -92.79 -53.97 3.95 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 . . . . . 0 C--O 1.241 0.618 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.188 177.374 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.81 160.24 15.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.68 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.08 55.18 3.12 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 113.272 -177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -171.24 -73.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m 57.11 32.11 21.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.394 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 t70 71.23 129.03 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.83 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -76.98 -17.76 58.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.263 -173.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -81.66 -27.33 34.12 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.3 77.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.54 66.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.7 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' VAL . 92.7 mt -69.68 -42.19 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.96 -34.05 76.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.18 -42.08 94.0 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.18 -37.25 80.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 11' ' ' LEU . 97.1 t -63.47 -45.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.11 0.481 . . . . 0.0 109.726 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.42 -29.14 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.639 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.612 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 5.6 tpp180 -59.59 -53.56 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.213 0.53 . . . . 0.0 110.044 177.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.514 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.3 t -65.5 -40.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.794 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.67 -42.82 98.05 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.092 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.7 ptpt -73.43 -23.49 60.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.03 0.415 . . . . 0.0 110.989 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.31 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.451 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.532 ' HA ' HD21 ' A' ' 28' ' ' LEU . 91.5 mt -78.64 -25.41 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.2 3.88 5.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.494 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 13.0 m120 -82.61 -36.38 26.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.582 0.23 . . . . 0.0 111.366 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 76.65 -62.01 3.2 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.059 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -55.1 -45.87 75.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.315 0.579 . . . . 0.0 111.345 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.494 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 69.9 mtt180 -78.89 -9.21 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.582 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' ' 22' ' ' LEU . 97.5 mt -69.66 -22.91 63.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.476 ' OE1' ' HD3' ' B' ' 8' ' ' LYS . 10.6 mm100 -59.15 -34.83 72.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.637 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 61.0 mt -70.62 -41.22 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.098 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.402 HD11 HD22 ' A' ' 28' ' ' LEU . 83.8 mt -63.54 -43.82 95.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.955 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.46 -26.98 68.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.659 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.531 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 2.3 tm? -82.73 -38.25 23.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.063 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 65.6 mt -77.0 -10.41 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.431 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.92 -16.29 64.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -78.61 -31.94 47.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.18 -136.58 5.09 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.756 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.635 ' HB3' ' HD2' ' A' ' 80' ' ' ARG . 9.3 pt-20 -105.12 123.69 48.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.985 0.421 . . . . 0.0 110.422 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.531 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 26.5 mmt180 -124.26 143.26 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.643 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -72.2 153.29 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.7 -43.39 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.498 ' HA ' HD11 ' A' ' 52' ' ' LEU . 1.5 mp0 -64.42 -37.82 88.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.465 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.36 77.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.5 mt -59.45 -47.29 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.442 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -62.73 -46.46 87.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.63 84.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.6 p -84.29 -16.56 42.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.21 24.61 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.337 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mtm -126.8 171.32 11.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -92.08 167.64 11.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.82 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.5 mm? -63.37 -41.75 98.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.245 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.5 p -61.49 -46.83 88.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 111.764 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -72.61 -40.48 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.569 0.223 . . . . 0.0 110.585 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.82 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.474 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 p -65.79 -35.53 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.325 . . . . 0.0 110.79 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.05 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.439 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.71 -39.9 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.409 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.0 mt -60.99 -40.27 92.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.288 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.59 -39.92 92.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.53 95.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.52 -34.92 77.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.28 0.562 . . . . 0.0 110.939 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -78.72 -26.97 44.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.413 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -67.22 -37.56 83.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.612 ' HA2' ' HG3' ' A' ' 17' ' ' ARG . . . -67.3 -24.17 73.47 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.8 43.84 13.67 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.76 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.646 ' HB2' HG11 ' A' ' 86' ' ' VAL . 1.4 pt? -125.06 3.97 7.95 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.063 -0.655 . . . . 0.0 112.162 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.75 148.43 25.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 110.79 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -121.11 160.97 22.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.492 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -123.0 129.41 51.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.548 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.84 105.91 14.51 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HB3' ' HG2' ' A' ' 77' ' ' GLN . 21.4 ptt85 -89.92 137.14 32.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 0.0 110.859 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -139.05 112.94 8.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.146 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 -107.53 2.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.47 -175.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -119.16 7.78 11.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.447 . . . . 0.0 110.089 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.14 148.18 26.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.849 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 26.0 mt-30 -121.8 116.0 23.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 175.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -95.6 116.67 29.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 35.3 m-85 -99.55 145.43 27.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.006 0.432 . . . . 0.0 110.308 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.635 ' HD2' ' HB3' ' A' ' 38' ' ' GLU . 12.3 ptm180 -154.41 164.59 38.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.06 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.8 mm -61.14 135.02 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.035 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.12 83.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.67 167.37 33.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.274 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.78 -30.59 70.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 110.999 -177.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.646 HG11 ' HB2' ' A' ' 67' ' ' LEU . 43.4 t -77.11 -39.04 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.762 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.93 94.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.305 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -67.75 -26.49 66.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.115 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.24 -51.59 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.39 -34.03 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.477 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.61 -44.74 85.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.206 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.439 ' O ' HG22 ' A' ' 96' ' ' VAL . 8.1 tt -58.97 -51.51 69.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.446 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.609 HG12 HD13 ' B' ' 89' ' ' LEU . 19.1 m -65.01 -28.99 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -72.66 -38.04 67.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 91' ' ' ALA . 82.0 t -64.23 -37.0 78.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 174.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 92' ' ' LEU . 88.9 t -61.37 -45.06 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.577 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.422 ' HB2' HG11 ' B' ' 15' ' ' VAL . . . -71.21 -15.38 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 111.098 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.96 -70.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.378 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -92.79 -34.35 13.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.691 -173.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -76.29 -21.09 56.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.972 0.415 . . . . 0.0 110.649 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.94 -17.41 59.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.712 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' HG2' ' H ' ' A' ' 104' ' ' HIS . 34.8 tt0 73.07 139.46 0.06 Allowed 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.86 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -105.22 24.26 12.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.153 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.426 ' H ' ' HG2' ' A' ' 102' ' ' GLU . 60.2 t-80 -75.32 -40.51 58.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.578 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -59.08 98.44 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.727 0.775 . . . . 0.0 110.927 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -155.94 113.92 3.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.145 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -126.97 4.23 6.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.935 0.398 . . . . 0.0 110.799 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.94 178.861 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.03 -39.53 19.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.376 0.608 . . . . 0.0 109.663 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.44 -154.5 8.36 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.039 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.861 ' HA ' HE21 ' B' ' 4' ' ' GLN . 0.0 OUTLIER -85.89 85.74 7.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.156 0.503 . . . . 0.0 109.949 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -72.0 -32.93 67.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.516 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -143.99 146.42 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -88.84 -45.22 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.878 0.37 . . . . 0.0 111.191 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.476 ' HD3' ' OE1' ' A' ' 29' ' ' GLN . 82.5 mttt -68.98 -36.93 78.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.43 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.29 -28.44 28.06 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.36 0.412 . . . . 0.0 111.924 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.16 -38.61 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.966 0.413 . . . . 0.0 110.87 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.92 -42.72 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.999 -175.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.401 ' HA ' HG23 ' B' ' 15' ' ' VAL . 85.8 mt -69.34 -31.21 69.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.27 -37.91 81.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 6.3 tp-100 -65.8 -47.17 75.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.809 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' ' 97' ' ' ALA . 25.9 m -70.73 -31.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.072 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.32 -24.56 65.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.096 0.474 . . . . 0.0 110.264 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.546 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 42.4 ttm180 -70.88 -42.36 70.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.966 174.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 52.5 t -58.79 -52.69 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.355 176.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.84 -36.69 92.42 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.352 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -67.32 -28.97 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.525 0.203 . . . . 0.0 111.08 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.34 -20.69 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 88.0 mt -85.7 -31.96 22.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.39 84.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.208 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -169.95 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.834 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.433 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . 100.34 -53.04 0.94 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.474 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -57.72 -41.19 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -83.11 -13.38 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.04 0.448 . . . . 0.0 110.488 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.433 HD12 ' HA2' ' B' ' 25' ' ' GLY . 90.7 mt -72.41 -26.34 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.5 -31.98 71.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.111 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.16 -43.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.328 178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -42.24 96.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.8 -33.98 76.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.429 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.546 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 31.9 tp -75.43 -48.09 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.828 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.409 HD23 HD12 ' B' ' 44' ' ' ILE . 84.3 mt -71.03 -8.63 54.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.898 0.38 . . . . 0.0 111.62 -177.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -17.28 64.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 3.7 pt20 -86.04 -28.16 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.436 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.43 -173.71 35.53 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.236 -0.507 . . . . 0.0 111.877 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 1.067 ' HG2' ' HB3' ' B' ' 80' ' ' ARG . 40.1 mt-10 -79.84 131.07 35.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.622 0.248 . . . . 0.0 110.708 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -135.16 158.3 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.553 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.454 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.72 150.36 25.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.276 -176.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 47.4 t -51.54 -44.99 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.482 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -44.21 85.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.395 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -40.73 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.985 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.454 HG13 ' O ' ' B' ' 40' ' ' ALA . 79.0 mt -59.63 -47.31 91.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.543 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -49.4 77.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.716 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 55.9 m -59.36 -48.46 81.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.597 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.24 82.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.3 p -88.45 -14.3 38.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 111.507 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.66 51.39 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.297 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -105.56 170.79 7.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.34 163.66 13.79 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.422 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.07 -38.94 84.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.641 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -62.37 -42.04 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -63.66 -49.58 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.41 79.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.441 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 p -61.68 -31.27 71.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.81 -56.04 6.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.579 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.459 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 26.7 p30 -73.3 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.828 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.3 mt -64.09 -41.65 97.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 173.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -59.45 -43.5 93.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.464 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.97 82.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.211 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 79.4 mt -65.06 -33.67 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.258 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -71.51 -32.59 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.921 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 44.7 t -64.93 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.546 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -76.74 -14.23 82.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.431 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.24 43.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.379 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.49 -40.05 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.32 154.73 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.122 0.487 . . . . 0.0 111.833 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -116.63 164.35 14.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.789 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.04 137.24 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -171.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -98.14 153.81 18.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -138.96 103.83 4.89 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.999 172.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -124.15 111.19 15.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.662 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.16 -114.25 4.11 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -112.54 -6.89 13.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.418 0.628 . . . . 0.0 109.483 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . 0.421 ' HD2' ' CE1' ' B' ' 78' ' ' TYR . 13.4 ttm180 -94.46 140.17 30.17 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.097 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -117.84 135.23 54.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.162 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' B' ' 76' ' ' ARG . 58.5 m-85 -107.52 144.48 34.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.53 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -123.22 145.81 48.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.206 0.527 . . . . 0.0 111.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 1.067 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -144.45 174.72 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.835 174.588 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -67.82 133.79 31.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.62 60.33 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.54 31.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.182 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 43.3 tt0 -68.62 -30.19 68.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.058 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.68 -32.96 59.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.4 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.85 94.93 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.615 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 27.0 mmt180 -72.64 -27.21 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.134 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.609 HD13 HG12 ' A' ' 93' ' ' VAL . 5.7 tt -61.48 -53.47 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.023 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.52 -36.03 81.28 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.116 0.484 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.418 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.28 -47.78 72.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.8 -45.31 94.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.68 -29.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.22 -39.19 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.418 HG23 ' O ' ' B' ' 91' ' ' ALA . 76.3 t -60.58 -46.98 94.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.186 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 97.3 t -57.14 -45.53 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.363 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.08 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.374 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.04 -48.79 79.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.782 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.715 ' HG3' ' HD2' ' B' ' 100' ' ' HIS . 5.0 pt-20 -85.23 -18.01 35.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.715 ' HD2' ' HG3' ' B' ' 99' ' ' GLU . 10.5 m170 -92.36 -3.75 54.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 54.0 tp -100.73 93.83 5.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.95 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -71.09 119.07 14.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -137.73 20.62 2.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.892 -172.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.432 ' O ' ' HD2' ' B' ' 106' ' ' HIS . 3.2 p80 -77.44 -4.64 46.43 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.106 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -76.37 80.57 3.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.516 0.675 . . . . 0.0 110.095 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . 0.432 ' HD2' ' O ' ' B' ' 104' ' ' HIS . 7.1 p80 -95.04 -22.33 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.805 -176.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 31.0 m170 69.25 -63.05 0.39 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.212 0.605 . . . . 0.0 111.043 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 . . . . . 0 C--O 1.245 0.864 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 172.549 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.559 ' HB1' ' HA ' ' A' ' 6' ' ' ASP . . . -144.01 129.09 18.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.07 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.65 112.76 0.54 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 72.17 -51.8 0.7 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.345 0.658 . . . . 0.0 110.335 -175.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -104.51 95.51 5.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 170.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.559 ' HA ' ' HB1' ' A' ' 2' ' ' ALA . 5.2 m-20 -83.0 84.67 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.281 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 62.2 mtp180 -68.22 -36.33 79.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.346 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -62.78 -41.74 99.38 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.154 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.85 76.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.913 0.387 . . . . 0.0 110.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -66.33 -34.27 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.276 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 96.2 mt -72.76 -37.55 67.63 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 95.3 mt -60.8 -40.97 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.258 175.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.37 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.493 ' HG3' HD21 ' B' ' 101' ' ' LEU . 82.5 mm-40 -68.9 -39.91 79.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.266 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.798 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -59.4 -40.15 85.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.94 -43.57 91.24 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.699 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.98 -42.26 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.151 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.37 -41.07 99.77 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.573 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 98.7 mttt -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.5 0.191 . . . . 0.0 110.887 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.2 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.0 tp -77.97 -14.89 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.548 0.69 . . . . 0.0 109.892 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.46 21.37 11.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.252 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.598 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -80.06 -1.16 38.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.974 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.07 -95.74 0.12 Allowed Glycine 0 C--O 1.229 -0.203 0 CA-C-N 116.005 -0.543 . . . . 0.0 113.879 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -65.25 -28.81 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 111.367 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.598 ' HB2' ' HB3' ' A' ' 24' ' ' ASN . 89.2 mtt180 -71.29 -14.62 62.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.034 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' HB3' HD23 ' B' ' 12' ' ' LEU . 83.4 mt -70.07 -20.28 63.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.806 0.336 . . . . 0.0 110.098 177.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.77 -35.46 79.89 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.628 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.4 mt -67.56 -40.81 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.736 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -38.96 88.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 110.113 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 tp -74.3 -38.21 63.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.726 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 77.6 mt -72.64 -18.41 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.207 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.34 61.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.115 0.483 . . . . 0.0 110.066 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -80.13 -40.02 28.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.491 175.336 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.67 178.59 39.85 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.612 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -83.89 146.69 27.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.642 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -146.03 164.55 31.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.002 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.46 151.56 32.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.225 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.45 -41.84 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.558 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.44 -45.75 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.098 -178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.27 83.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.735 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.45 -47.26 92.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.46 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.8 72.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.7 m -59.39 -47.1 86.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.268 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.99 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.948 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.86 -11.02 34.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 111.664 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.41 19.1 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.653 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.3 mtm -126.9 162.19 26.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -77.83 158.04 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mp -58.83 -44.69 90.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.912 0.386 . . . . 0.0 111.099 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -61.95 -44.76 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 110.901 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -60.88 -47.33 86.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.037 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.88 94.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.685 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.6 m -59.87 -37.5 79.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -44.1 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 0.0 110.628 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -64.37 -40.08 95.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.451 HD21 HG22 ' A' ' 30' ' ' ILE . 88.9 mt -67.25 -36.64 82.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.141 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -60.07 -40.19 88.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.708 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.84 76.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.572 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 27' ' ' ARG . 95.7 mt -63.52 -36.82 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -69.22 -36.33 77.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.405 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.2 m -74.88 -19.18 60.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.697 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 -16.91 73.15 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.99 13.33 56.58 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.95 -41.37 14.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.657 0.265 . . . . 0.0 111.485 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.6 m -122.28 162.22 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.076 0.465 . . . . 0.0 111.738 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.861 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -133.28 155.58 49.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.01 177.404 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.34 126.26 44.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.456 ' NH2' ' HG3' ' A' ' 38' ' ' GLU . 15.5 mtm180 -98.11 126.12 43.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -82.75 95.17 7.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.85 108.67 19.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.712 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.58 -125.14 28.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.373 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -105.64 11.17 32.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.624 0.726 . . . . 0.0 109.724 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -111.91 148.2 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.106 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -102.3 116.04 31.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.472 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -102.68 116.76 33.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.74 149.51 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.569 ' HG2' ' H ' ' A' ' 81' ' ' ILE . 35.5 ttp180 -158.63 172.0 19.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.569 ' H ' ' HG2' ' A' ' 80' ' ' ARG . 54.5 mt -57.53 137.19 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.861 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -47.04 -49.81 20.65 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.602 0.564 . . . . 0.0 112.162 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.57 169.56 32.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.701 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 40.3 tt0 -64.61 -31.23 72.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.121 0.46 . . . . 0.0 110.009 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.89 -45.86 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.216 0.532 . . . . 0.0 109.693 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.93 -34.1 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.146 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.77 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.055 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.701 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 9.9 mmm-85 -69.58 -33.76 73.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.94 -47.03 79.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.082 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.86 -33.88 77.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 110.443 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.32 -41.18 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.889 0.376 . . . . 0.0 110.183 175.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.22 -51.6 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.474 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.526 HG11 HD13 ' B' ' 89' ' ' LEU . 33.1 m -64.56 -30.53 50.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.339 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -72.69 -43.19 63.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.093 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 73.2 t -63.83 -46.79 93.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.504 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.4 -36.27 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 120.65 0.262 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.85 70.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 110.409 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.8 -50.25 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.272 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.28 -33.84 74.21 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -98.29 -3.72 36.64 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.856 -0.738 . . . . 0.0 111.293 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.3 tp -85.95 -35.68 20.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -79.69 170.65 16.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.784 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -137.55 17.26 2.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.202 0.525 . . . . 0.0 109.917 -177.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -92.11 -47.28 7.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.504 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -75.27 96.2 3.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.949 0.404 . . . . 0.0 110.281 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -120.51 -3.59 9.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.409 0.623 . . . . 0.0 109.724 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -94.41 166.58 12.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.802 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.041 -179.139 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.54 -164.16 1.41 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.23 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.75 -92.17 1.78 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.013 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' B' ' 6' ' ' ASP . 27.6 mp0 -100.76 129.95 46.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p 68.9 -37.64 0.37 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.043 1.337 . . . . 0.0 113.174 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' B' ' 4' ' ' GLN . 13.3 m-20 61.57 89.33 0.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.577 0.703 . . . . 0.0 109.664 -173.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -66.02 -19.22 65.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.701 -168.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.633 ' HB2' ' HZ1' ' B' ' 8' ' ' LYS . 0.1 OUTLIER -65.37 -36.64 84.61 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.471 175.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -28.43 64.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.009 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.388 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' O ' HG21 ' B' ' 15' ' ' VAL . 92.1 mt -67.67 -43.56 79.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.47 HD23 ' HB3' ' A' ' 28' ' ' LEU . 70.5 mt -65.02 -33.97 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.349 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.64 -40.0 94.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.48 HG21 ' O ' ' B' ' 11' ' ' LEU . 93.6 t -63.64 -38.91 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.995 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.54 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.831 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.49 HH21 ' HA3' ' B' ' 66' ' ' GLY . 16.3 ttp180 -58.26 -47.94 81.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.312 0.577 . . . . 0.0 109.459 178.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.607 HG11 HD23 ' B' ' 67' ' ' LEU . 62.7 t -63.41 -47.49 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.473 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.99 -40.22 93.02 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.744 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -70.17 -26.17 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.595 0.235 . . . . 0.0 111.068 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.58 -30.99 66.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.345 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.496 HD21 HD13 ' B' ' 67' ' ' LEU . 3.9 mm? -82.43 -17.51 45.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.209 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.65 48.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 111.66 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -135.86 -175.34 3.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.908 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.41 -55.17 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.005 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.37 -26.6 66.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.164 0.507 . . . . 0.0 110.648 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -83.4 -18.47 38.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.295 -176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.34 -29.19 42.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.3 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.87 -28.21 67.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.429 0.633 . . . . 0.0 109.654 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.47 HG12 HG22 ' B' ' 48' ' ' THR . 66.0 mt -66.79 -40.08 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.544 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.98 -41.46 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -26.46 64.09 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.839 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.53 -36.07 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.542 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 96.1 mt -84.03 -10.55 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.13 70.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.936 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -91.9 15.51 12.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.13 159.18 9.82 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.803 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.431 ' HB3' ' CB ' ' B' ' 80' ' ' ARG . 8.7 pt-20 -74.13 136.34 42.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.77 -0.215 . . . . 0.0 110.671 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -134.64 162.23 32.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.678 0.275 . . . . 0.0 110.354 -174.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -78.36 159.34 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.518 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.471 HG22 ' O ' ' B' ' 77' ' ' GLN . 59.6 t -54.31 -43.41 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.288 -178.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.462 ' HA ' HD22 ' B' ' 52' ' ' LEU . 2.3 mp0 -58.72 -43.8 90.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.46 80.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.56 -51.65 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.614 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.48 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.32 -178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -58.0 -50.77 72.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.26 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.47 HG22 HG12 ' B' ' 30' ' ' ILE . 20.3 p -87.86 -18.71 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.584 0.23 . . . . 0.0 111.431 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.9 21.29 47.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.164 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -119.13 158.54 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -78.77 158.26 28.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' B' ' 42' ' ' GLU . 93.9 mt -50.04 -46.71 53.27 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.522 0.514 . . . . 0.0 111.934 -175.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -60.27 -49.3 78.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.673 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -70.31 -37.22 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.882 0.373 . . . . 0.0 110.983 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.27 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.523 ' HA ' HD13 ' B' ' 59' ' ' LEU . 15.9 p -65.57 -32.99 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.05 97.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.747 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -74.84 -30.47 61.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.739 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' B' ' 56' ' ' SER . 56.6 mt -63.47 -41.52 98.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.231 173.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.16 -36.84 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.618 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.91 93.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.0 mt -67.79 -29.72 68.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 0.0 110.281 177.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -68.84 -42.81 76.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.725 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 7.4 p -71.52 -20.62 62.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.401 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.3 -28.93 62.98 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 171.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . 0.49 ' HA3' HH21 ' B' ' 17' ' ' ARG . . . 99.82 24.27 10.06 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.451 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.607 HD23 HG11 ' B' ' 18' ' ' VAL . 8.4 mt -98.78 -43.82 6.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 111.132 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.39 161.42 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.236 0.541 . . . . 0.0 111.513 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -130.96 164.08 26.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.772 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -118.84 136.88 53.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 0.0 111.25 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -132.05 113.03 12.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.141 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -78.95 128.8 33.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.059 0.457 . . . . 0.0 110.422 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.25 107.85 7.9 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.69 -121.62 12.76 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.124 -171.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -102.77 -4.1 25.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 109.938 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -94.11 151.19 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.471 ' O ' HG22 ' B' ' 41' ' ' VAL . 9.8 tt0 -116.59 116.49 27.68 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 83.7 m-85 -98.52 133.05 43.42 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.278 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.411 ' CD1' HD12 ' B' ' 59' ' ' LEU . 42.1 m-85 -106.62 131.87 53.27 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.029 0.443 . . . . 0.0 110.057 176.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.431 ' CB ' ' HB3' ' B' ' 38' ' ' GLU . 4.3 ptm180 -133.04 166.49 22.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.77 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.408 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 55.6 mt -74.77 135.64 26.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.45 66.49 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -174.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.45 173.62 41.89 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.468 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.99 -28.72 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.258 0.551 . . . . 0.0 110.438 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.45 -48.89 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.678 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.408 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 52.2 t -67.71 -38.51 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.523 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.12 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.838 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -65.2 -33.47 76.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.526 HD13 HG11 ' A' ' 93' ' ' VAL . 5.8 tt -60.27 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.047 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -65.24 -38.23 89.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.492 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.46 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -63.62 -46.38 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.26 -50.68 69.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.61 -31.45 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.763 0.316 . . . . 0.0 110.873 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -62.4 -44.13 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 109.955 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.46 HG22 ' O ' ' B' ' 91' ' ' ALA . 97.9 t -63.81 -42.79 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.442 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 91.1 t -55.32 -48.42 76.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.694 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.98 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.1 -50.36 74.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.04 -176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.431 ' OE2' ' HA ' ' B' ' 103' ' ' HIS . 23.5 tp10 -72.2 -13.36 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.945 0.402 . . . . 0.0 111.167 -176.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -86.99 -19.41 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.221 -0.3 . . . . 0.0 111.057 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.493 HD21 ' HG3' ' A' ' 14' ' ' GLN . 3.8 mm? -80.98 -30.86 34.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.83 0.348 . . . . 0.0 110.576 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.63 122.43 1.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 177.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . 0.431 ' HA ' ' OE2' ' B' ' 99' ' ' GLU . 73.5 m-70 -80.14 72.12 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.975 0.417 . . . . 0.0 109.971 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -75.48 45.07 0.29 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.361 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -165.73 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.418 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 34.5 m80 68.14 -72.9 0.09 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.88 0.737 . . . . 0.0 109.541 -173.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 12.3 p80 178.44 -44.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.254 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.246 0.917 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.571 175.178 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.085 0.469 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.3 107.11 3.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.256 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.6 73.96 2.18 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.225 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -55.41 134.15 50.23 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.757 0.328 . . . . 0.0 110.595 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p 58.65 174.54 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.478 1.111 . . . . 0.0 111.922 -175.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD2' ' HB3' ' A' ' 9' ' ' ALA . 14.1 p-10 -97.38 115.66 28.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.423 0.63 . . . . 0.0 109.767 177.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -81.87 -29.28 32.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.507 -164.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.51 -23.22 61.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.163 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB3' ' OD2' ' A' ' 6' ' ' ASP . . . -59.21 -33.29 70.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.257 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.03 83.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -76.52 -36.08 57.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.045 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.44 -40.92 89.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.69 -36.41 83.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.698 0.285 . . . . 0.0 110.428 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -58.13 -54.83 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.681 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.4 -29.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.718 0.294 . . . . 0.0 111.233 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -33.3 70.86 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.38 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -62.47 -42.03 99.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.21 -51.8 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.273 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.73 -25.88 71.88 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.773 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.35 -34.25 67.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.806 0.336 . . . . 0.0 110.682 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.31 -25.9 33.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.18 0.514 . . . . 0.0 109.9 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -35.61 72.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.642 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' B' ' 20' ' ' LYS . . . -80.14 20.66 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.034 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.98 -37.04 22.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.07 -62.1 4.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.95 0.405 . . . . 0.0 111.16 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HD2' ' HG ' ' A' ' 62' ' ' LEU . 42.4 mtm-85 -71.19 -10.04 59.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.832 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.738 0.304 . . . . 0.0 110.433 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -65.22 -28.93 69.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.043 0.449 . . . . 0.0 110.273 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.6 mt -72.61 -44.57 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.994 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.78 -39.62 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.25 -36.98 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.954 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 58.9 tp -74.74 -41.52 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.37 -4.85 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.312 -177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 -15.01 63.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.246 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.7 pt20 -99.3 -7.27 26.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.316 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.55 -133.51 4.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.055 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.51 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 9.1 pt-20 -123.52 137.05 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.064 0.459 . . . . 0.0 111.005 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 39' ' ' ARG . 11.8 mmt180 -137.68 147.57 44.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.486 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -70.03 152.24 44.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.467 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.1 t -53.7 -42.49 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.436 ' HA ' HD21 ' A' ' 52' ' ' LEU . 1.8 mp0 -59.3 -39.25 82.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.642 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.11 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.581 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 40' ' ' ALA . 80.9 mt -60.38 -44.28 95.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.24 -57.09 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.006 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.1 m -62.72 -39.32 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.6 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.74 73.1 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.9 p -95.76 -9.89 30.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 0.0 111.361 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.52 36.44 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.332 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.6 mtm -115.78 169.79 8.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -94.79 166.61 11.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 42' ' ' GLU . 96.0 mt -53.99 -42.33 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.311 0.382 . . . . 0.0 110.876 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 p -57.06 -54.99 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.549 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.1 m -63.29 -42.54 99.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.223 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.64 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.242 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.0 t -61.32 -38.31 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.234 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.83 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.36 -35.25 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.152 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.25 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -64.82 -40.81 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 109.982 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.67 85.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.658 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 98.7 mt -73.65 -7.59 52.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.233 177.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 33.3 ttmt -78.11 -69.67 0.54 Allowed 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -47.92 -43.15 28.76 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.032 -175.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.92 20.82 3.21 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.908 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.658 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -115.28 -19.06 5.98 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 119.861 -1.161 . . . . 0.0 111.814 -176.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 67' ' ' LEU . 6.2 mt 76.33 40.69 0.23 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.711 169.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 62' ' ' LEU . 27.2 m -120.5 148.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 173.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.77 176.89 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.782 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 78' ' ' TYR . . . -139.83 142.36 36.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -127.18 133.89 50.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.177 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -87.78 103.78 15.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.481 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.18 89.77 3.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.826 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.8 -96.85 0.03 OUTLIER Glycine 0 C--N 1.33 0.205 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.937 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -91.64 -21.41 20.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.873 0.368 . . . . 0.0 111.451 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -113.89 167.61 10.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.184 0.516 . . . . 0.0 111.478 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.416 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 35.5 tt0 -124.68 114.42 19.3 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.6 m-85 -96.53 133.39 41.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.38 149.92 30.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 18.8 ptt180 -161.48 166.39 27.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -177.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.3 134.64 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -65.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.553 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.35 164.29 17.78 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.415 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -69.71 -26.48 64.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.82 -35.75 81.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.09 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.49 -44.44 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.113 176.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.429 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.5 mtm105 -66.12 -30.24 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.468 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.45 -50.38 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.99 -31.61 70.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.328 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -72.22 -33.6 67.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 177.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.88 -46.73 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.402 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.34 -29.02 46.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.589 ' HA ' HD13 ' B' ' 11' ' ' LEU . 29.3 tt0 -65.17 -41.39 94.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.051 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.5 t -60.79 -44.52 97.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 110.323 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.5 -49.92 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.435 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.508 ' HB3' HD12 ' B' ' 11' ' ' LEU . . . -66.61 -48.44 69.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.134 -176.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -55.5 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.001 0.429 . . . . 0.0 112.098 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -80.3 -47.72 14.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -169.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -81.03 -2.55 48.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.868 0.366 . . . . 0.0 111.919 -169.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 43.3 tp -89.86 -1.8 58.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.677 172.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.575 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 1.5 mp0 81.5 116.97 0.06 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.834 -175.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.446 ' HB3' ' H ' ' A' ' 104' ' ' HIS . 22.0 t60 -123.92 -81.41 0.64 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.895 -178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.446 ' H ' ' HB3' ' A' ' 103' ' ' HIS . 49.8 m-70 -155.03 135.03 12.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 173.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.65 -46.05 2.58 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.448 0.166 . . . . 0.0 111.448 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 32.7 m80 58.39 75.64 0.38 Allowed 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.502 0.501 . . . . 0.0 109.778 -173.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 106' ' ' HIS . 35.7 m80 72.57 177.13 0.26 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.35 -173.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.771 -0.633 . . . . 0.0 109.884 -175.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.86 -56.99 4.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 111.092 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.28 -110.19 3.06 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.673 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -110.3 119.06 38.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.909 0.385 . . . . 0.0 110.616 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -151.19 -84.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 48.46 53.55 11.86 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.527 0.517 . . . . 0.0 111.477 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -62.7 -20.51 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -69.51 -28.27 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.885 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.66 92.05 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.639 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -31.51 72.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.725 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.589 HD13 ' HA ' ' A' ' 94' ' ' GLN . 22.9 tp -64.03 -53.26 52.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.847 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.39 -35.45 79.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.267 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.61 -45.6 71.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.232 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.92 -39.5 76.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.318 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.21 -30.48 48.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.531 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -66.43 -40.32 89.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.185 174.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -57.71 -47.0 83.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.732 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.532 HG11 HD21 ' B' ' 67' ' ' LEU . 58.3 t -60.93 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.568 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -45.79 95.18 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 23' ' ' ALA . 59.9 mtpt -64.4 -25.58 68.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.544 0.211 . . . . 0.0 111.406 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.5 -39.57 62.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.4 -36.23 34.12 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.185 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.82 97.53 0.35 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.045 0.45 . . . . 0.0 110.821 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -166.27 -43.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.338 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.52 -59.12 0.94 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.427 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -68.64 -25.83 65.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 111.422 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -74.86 -16.71 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.34 -22.81 60.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.308 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.79 -33.29 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.168 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 58.9 mt -70.55 -42.74 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.141 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.03 -39.21 93.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.83 -32.86 73.21 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.608 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.72 -46.66 21.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.007 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 51.7 mt -69.46 -15.73 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.822 0.344 . . . . 0.0 111.711 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.59 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.506 . . . . 0.0 110.134 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -91.43 -7.41 50.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.929 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.43 -178.01 22.64 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.354 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.476 ' C ' ' HD2' ' B' ' 39' ' ' ARG . 0.5 OUTLIER -87.31 122.92 31.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.167 179.054 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.476 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -119.66 141.48 49.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.185 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.538 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -69.19 159.23 33.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.45 -40.94 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 110.916 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.482 ' HG3' HD22 ' B' ' 52' ' ' LEU . 2.2 mp0 -59.38 -44.71 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.08 72.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.968 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -58.72 -43.77 88.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.26 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.4 -45.25 84.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.061 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.3 m -63.11 -47.99 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.363 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -26.51 64.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.096 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.487 ' HB ' ' SD ' ' B' ' 50' ' ' MET . 26.1 p -93.96 -10.6 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.685 0.279 . . . . 0.0 111.465 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.23 34.7 60.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.079 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.487 ' SD ' ' HB ' ' B' ' 48' ' ' THR . 2.0 mtp -130.15 175.15 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -178.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -83.5 162.51 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.482 HD22 ' HG3' ' B' ' 42' ' ' GLU . 9.6 mp -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.9 t -60.51 -43.63 96.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.599 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 3.8 m -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.153 0.501 . . . . 0.0 110.476 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.37 69.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 65.6 p -65.14 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.529 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.227 0.537 . . . . 0.0 110.265 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.09 -37.78 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.19 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' B' ' 79' ' ' TYR . 86.8 mt -62.85 -39.59 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.618 177.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.09 -42.15 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.338 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.03 85.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 99.6 mt -65.75 -34.74 78.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -69.26 -38.65 78.52 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -65.71 -37.44 86.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.76 -23.21 76.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.404 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.19 17.79 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.725 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.532 HD21 HG11 ' B' ' 18' ' ' VAL . 21.4 mt -99.1 -26.32 14.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.95 145.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.538 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.523 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 68.0 mm-40 -112.07 151.17 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.972 176.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.408 ' HB3' ' CE2' ' B' ' 79' ' ' TYR . . . -117.92 109.8 16.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.406 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -116.99 130.35 56.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.229 0.538 . . . . 0.0 109.926 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -100.51 140.11 35.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.009 -169.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.52 128.71 37.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 175.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.79 -99.41 0.3 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.63 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -131.35 4.85 4.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.634 0.254 . . . . 0.0 110.872 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -106.94 141.4 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.957 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -99.13 111.3 23.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.538 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 94.4 m-85 -96.19 131.05 43.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' B' ' 70' ' ' ALA . 26.1 m-85 -104.88 146.06 29.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.965 0.412 . . . . 0.0 110.543 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 2.9 tmm_? -155.97 162.17 40.39 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.483 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 64.6 mt -53.39 131.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.171 0.294 . . . . 0.0 110.267 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.523 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -55.32 -51.89 65.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.78 -178.68 25.86 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.923 -1.132 . . . . 0.0 112.994 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.36 -32.62 73.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 0.0 110.112 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -69.11 -41.27 77.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.802 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.501 HG11 HD23 ' B' ' 67' ' ' LEU . 59.5 t -67.88 -40.02 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.21 94.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.456 ' HA ' ' HB1' ' B' ' 91' ' ' ALA . 62.4 mtt180 -86.64 -8.64 57.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.89 -50.85 46.12 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.23 -33.89 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.951 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.504 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.63 -46.85 74.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.042 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.5 -45.39 87.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.303 -176.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.449 ' HA ' HG12 ' B' ' 96' ' ' VAL . 11.4 p -63.78 -29.71 48.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.14 0.495 . . . . 0.0 109.986 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.86 -45.36 78.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.131 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 91' ' ' ALA . 87.4 t -63.71 -46.29 95.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.529 -178.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.449 HG12 ' HA ' ' B' ' 93' ' ' VAL . 13.4 p -65.29 -31.47 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.61 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.93 -43.32 58.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.958 0.409 . . . . 0.0 109.898 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.13 -50.04 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.441 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.59 -51.19 63.78 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.345 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -84.28 -3.31 58.14 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.191 -174.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 23.9 tp -92.57 75.62 5.08 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 18.46 57.99 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.501 1.52 . . . . 0.0 113.953 -173.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -108.93 20.28 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.367 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -60.64 100.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -66.31 -71.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.71 -171.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -161.34 -65.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.041 -177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 70.34 -61.52 0.46 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.359 0.664 . . . . 0.0 111.725 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 p80 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.101 179.735 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HG3' ' H ' ' A' ' 2' ' ' ALA . 9.9 tpt . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.482 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . 62.22 26.93 16.17 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.638 0.732 . . . . 0.0 109.987 -174.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.68 -169.47 39.42 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.207 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -142.44 143.25 32.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.486 0.643 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m 62.89 96.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.817 0.698 . . . . 0.0 111.396 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.59 22.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.089 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 6.1 ptt180 -73.15 -11.49 60.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -57.32 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.05 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -29.82 70.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -36.81 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 91.5 mt -74.68 -38.68 62.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.955 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.45 -41.74 97.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.056 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.18 -42.86 91.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.89 -44.92 88.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.38 -44.78 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.33 79.04 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.913 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -58.16 -45.84 86.73 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.85 -50.35 80.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.56 84.6 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.035 -0.603 . . . . 0.0 112.4 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.57 -38.08 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.11 -20.67 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -3.85 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.581 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' C ' HD21 ' A' ' 24' ' ' ASN . . . -83.49 21.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.585 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.528 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -117.74 145.96 44.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.39 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.86 -60.27 1.09 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.68 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 26' ' ' ARG . 17.4 mtp180 -70.5 -19.53 62.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.875 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -74.1 -22.4 59.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.877 0.37 . . . . 0.0 110.594 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 88.2 mt -69.85 -21.77 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.96 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.525 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.6 mt-30 -58.64 -35.74 72.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.928 0.394 . . . . 0.0 110.402 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.577 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 58.6 mt -70.82 -42.6 77.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.623 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.04 -38.59 83.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' CG ' ' HZ3' ' B' ' 8' ' ' LYS . 16.6 t70 -63.69 -47.62 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.365 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 79.9 mt -60.39 -38.9 85.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.9 mt -77.17 -19.86 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.245 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.49 -27.37 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.351 0.596 . . . . 0.0 109.715 174.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.23 -40.03 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.573 175.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.18 164.9 35.65 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.244 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 1.3 pm0 -77.69 109.13 11.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.267 0.556 . . . . 0.0 110.094 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.585 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 88.5 mtt180 -111.13 144.19 40.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.322 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' HA ' ' O ' ' A' ' 77' ' ' GLN . . . -72.33 152.58 42.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.245 176.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.66 -45.35 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 O-C-N 123.608 0.567 . . . . 0.0 111.366 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.445 ' HG2' HD12 ' A' ' 52' ' ' LEU . 42.1 mt-10 -63.58 -41.07 98.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.25 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.801 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.3 -43.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.335 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.44 63.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.857 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.7 m -58.3 -48.53 80.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.59 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.25 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 p -84.02 -17.6 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.705 0.288 . . . . 0.0 111.386 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.85 26.84 40.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.87 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.9 mtm -118.76 170.88 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.63 164.58 14.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 HD12 ' HG2' ' A' ' 42' ' ' GLU . 4.4 mm? -57.17 -43.25 82.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.515 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 t -57.36 -39.15 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.346 . . . . 0.0 111.079 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -73.94 -45.4 50.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 110.529 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.44 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -63.19 -48.66 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.328 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 43.3 p -64.81 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.374 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.81 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 0.0 110.857 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -68.58 -33.43 74.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.804 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 86.3 mt -66.92 -37.65 84.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.144 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 56' ' ' SER . 25.9 mt-30 -64.78 -34.25 77.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.102 176.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 -29.37 62.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.741 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.867 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 97.3 mt -86.03 -8.03 58.22 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 tptp -78.04 -69.61 0.54 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 168.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -47.46 -49.9 24.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.157 -174.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.9 25.92 3.32 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.04 -1.076 . . . . 0.0 112.417 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.867 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -111.47 -22.56 6.05 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 119.719 -1.229 . . . . 0.0 112.054 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.624 ' HB2' HG12 ' A' ' 86' ' ' VAL . 6.8 mt 78.32 36.0 0.23 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.985 -0.607 . . . . 0.0 111.683 168.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG13 HD12 ' A' ' 81' ' ' ILE . 35.1 m -120.01 160.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 174.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -120.73 166.45 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.2 126.31 43.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.331 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.54 129.59 52.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.528 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 41.9 mtm180 -93.66 130.93 39.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.321 0.582 . . . . 0.0 112.233 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.523 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 31.7 tt0 -112.77 97.81 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.814 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.88 -98.79 0.37 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.359 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 m -103.64 -18.27 14.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 111.227 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -100.59 152.23 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 112.015 -172.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.528 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 51.4 mt-30 -108.83 121.57 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.439 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 22.5 m-85 -104.67 126.44 51.76 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.436 ' O ' HD23 ' A' ' 34' ' ' LEU . 15.6 m-85 -100.96 146.19 27.71 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.662 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.11 153.49 34.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.225 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.567 HD12 HG13 ' A' ' 68' ' ' VAL . 31.7 mm -59.67 132.28 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.61 85.92 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.7 162.96 28.3 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.394 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -29.51 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.352 0.596 . . . . 0.0 109.495 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.2 -57.82 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.059 175.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.624 HG12 ' HB2' ' A' ' 67' ' ' LEU . 60.8 t -59.35 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.075 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.72 93.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -77.26 -21.97 52.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.07 -45.03 90.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 173.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 63.8 t80 -68.38 -37.46 80.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.374 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.446 ' O ' HG22 ' A' ' 95' ' ' VAL . . . -64.96 -38.57 91.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.857 0.36 . . . . 0.0 110.705 176.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.64 -47.39 85.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.593 ' HA ' HG13 ' A' ' 96' ' ' VAL . 34.8 m -68.09 -29.2 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.198 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' HG3' ' O ' ' A' ' 90' ' ' PHE . 53.9 mt-30 -67.42 -40.93 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.934 0.397 . . . . 0.0 110.359 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 91' ' ' ALA . 86.8 t -70.71 -46.77 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.181 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' ' 93' ' ' VAL . 8.4 p -62.56 -29.7 47.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.868 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.52 -46.03 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.66 -47.83 79.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.877 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -17.28 60.56 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.479 -175.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.12 -22.49 28.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.482 0.182 . . . . 0.0 111.083 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.77 -20.61 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.191 0.52 . . . . 0.0 110.607 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.14 174.24 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -56.13 108.75 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.198 0.523 . . . . 0.0 110.093 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -94.5 -60.65 1.67 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.397 -170.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -120.97 129.86 53.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.866 0.365 . . . . 0.0 110.372 -176.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -69.53 -81.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.783 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -163.08 171.11 16.9 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.538 -0.744 . . . . 0.0 109.562 175.264 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.04 -173.76 4.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.262 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.1 -137.5 4.59 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -102.68 103.02 13.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.386 0.612 . . . . 0.0 111.475 -174.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -114.61 8.69 16.37 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 173.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.16 -24.85 65.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.916 -174.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -59.54 -58.68 7.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.771 0.319 . . . . 0.0 111.603 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.423 ' HZ3' ' CG ' ' A' ' 32' ' ' ASP . 55.8 mtpt -68.7 -31.63 70.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.66 -178.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.85 -42.24 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.35 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.202 0.525 . . . . 0.0 110.825 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.454 ' O ' HG23 ' B' ' 15' ' ' VAL . 93.5 mt -72.43 -40.83 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.985 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.99 -33.81 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.65 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.99 -46.75 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.479 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.65 -42.39 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.454 HG23 ' O ' ' B' ' 11' ' ' LEU . 73.3 t -60.0 -48.18 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.248 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.87 70.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.287 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.58 -38.76 74.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.973 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.744 HG13 HD11 ' B' ' 67' ' ' LEU . 95.9 t -63.42 -48.86 85.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.094 175.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.31 -34.7 90.68 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.295 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -66.29 -29.72 70.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.0 -32.68 63.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.043 0.449 . . . . 0.0 110.208 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tp -88.13 20.33 3.24 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.864 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.19 16.32 18.5 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.512 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 32.1 p30 -151.86 169.8 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.166 176.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.6 -46.88 4.46 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -165.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -69.99 -22.61 63.11 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 117.759 0.779 . . . . 0.0 112.111 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -76.53 -19.63 57.74 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.916 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 76.6 mt -76.5 -31.59 57.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 175.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' B' ' 48' ' ' THR . 47.2 tt0 -59.97 -35.18 74.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.323 176.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 75.9 mt -65.09 -47.93 85.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.132 174.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.23 -36.35 79.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.119 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.65 -43.12 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.91 -33.6 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.45 -5.28 54.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.501 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.53 -4.7 28.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.342 0.591 . . . . 0.0 110.261 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.53 -12.04 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.441 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.28 -109.15 1.22 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.276 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.616 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 20.5 mt-10 -118.17 113.37 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.775 0.322 . . . . 0.0 110.42 -175.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' B' ' 39' ' ' ARG . 54.5 mmt-85 -120.59 146.39 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.644 0.259 . . . . 0.0 110.723 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.31 149.09 46.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.689 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.56 -37.53 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.412 ' HA ' HD12 ' B' ' 52' ' ' LEU . 48.5 mt-10 -60.81 -40.76 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.35 -41.24 76.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -58.72 -50.31 79.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.66 177.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.27 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.395 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -65.86 -47.26 75.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 -178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -29.78 69.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.661 -176.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.456 ' HA ' ' NE2' ' B' ' 29' ' ' GLN . 23.3 p -92.4 -5.71 51.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.624 -177.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 35.58 79.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.55 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.514 ' HB3' ' HB ' ' B' ' 54' ' ' THR . 78.4 mtm -123.43 175.12 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.69 0.281 . . . . 0.0 110.277 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.32 169.02 11.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 42' ' ' GLU . 4.4 mm? -62.02 -39.91 93.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -60.67 -49.75 76.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.636 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.514 ' HB ' ' HB3' ' B' ' 50' ' ' MET . 2.0 m -61.98 -45.16 94.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.42 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -60.34 -38.51 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.335 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.43 83.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.866 0.365 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -68.9 -38.07 79.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.79 -48.44 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 177.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.448 ' HA ' ' HB3' ' B' ' 63' ' ' LYS . 26.0 tt0 -65.7 -26.22 67.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -176.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.06 -48.42 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 69.1 mt -67.11 -32.02 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.879 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' B' ' 60' ' ' GLN . 88.4 tttt -64.15 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.727 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -72.49 -24.55 61.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.283 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.8 88.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.328 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.97 21.53 73.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.839 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.744 HD11 HG13 ' B' ' 18' ' ' VAL . 6.7 mp -90.3 -45.15 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.516 0.198 . . . . 0.0 111.486 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -129.06 154.74 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.71 0.291 . . . . 0.0 111.436 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -137.6 161.77 35.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.094 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.47 143.46 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.271 0.558 . . . . 0.0 111.84 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.799 ' HB3' ' HB2' ' B' ' 78' ' ' TYR . 21.4 ttt180 -116.97 105.79 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.976 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.04 98.51 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -117.71 115.58 25.33 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.93 -102.12 1.39 Allowed Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.9 t -130.24 -4.09 4.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.001 0.429 . . . . 0.0 110.621 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -104.66 156.27 18.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.055 0.455 . . . . 0.0 111.219 -174.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -105.27 113.44 27.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.799 ' HB2' ' HB3' ' B' ' 71' ' ' ARG . 77.2 m-85 -90.95 157.13 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.607 171.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -130.78 140.76 50.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.616 ' HD2' ' HG2' ' B' ' 38' ' ' GLU . 15.0 ptm180 -144.34 162.07 37.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.84 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.65 129.86 31.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.13 -70.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.749 0.656 . . . . 0.0 111.907 -172.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.22 157.59 15.88 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.686 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -70.22 -25.04 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.22 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.46 HG13 ' HA ' ' B' ' 67' ' ' LEU . 25.7 t -66.41 -38.87 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.177 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.21 99.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.501 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.17 -29.35 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.951 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.32 -44.79 95.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.386 . . . . 0.0 109.974 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.46 -42.25 98.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.536 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -68.31 -38.49 81.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.41 -50.5 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.361 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.0 -32.23 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.306 . . . . 0.0 110.581 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -61.4 -43.98 97.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.147 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.536 HG22 ' O ' ' B' ' 91' ' ' ALA . 62.2 t -57.37 -53.42 44.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.852 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.13 -46.71 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.476 ' O ' HD23 ' B' ' 101' ' ' LEU . . . -56.96 -54.12 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.489 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -69.62 -48.88 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.471 -175.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -78.34 -8.84 58.9 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.8 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 97' ' ' ALA . 1.0 OUTLIER -82.28 93.52 7.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.14 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 71.6 -6.98 1.29 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 171.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -83.27 -27.47 29.83 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.799 -0.76 . . . . 0.0 111.461 -176.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.412 ' O ' ' HB3' ' B' ' 105' ' ' HIS . 22.1 p80 -149.93 107.16 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.112 0.482 . . . . 0.0 111.981 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . 0.412 ' HB3' ' O ' ' B' ' 104' ' ' HIS . 20.5 p80 177.88 109.97 0.03 OUTLIER 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.24 169.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.56 -69.37 0.79 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -146.45 -48.97 0.2 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 171.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 17.5 p80 . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.395 170.634 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.733 0.301 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.66 104.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.993 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -133.77 -61.69 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 63.07 25.09 14.81 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.022 0.439 . . . . 0.0 110.785 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -161.83 -74.88 0.05 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.68 22.83 13.26 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.111 168.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.7 ttm105 -64.75 -47.95 76.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.272 0.558 . . . . 0.0 110.062 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -70.2 -33.1 71.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.112 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.04 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.264 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.37 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.206 0.527 . . . . 0.0 110.722 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.422 ' O ' HG22 ' A' ' 15' ' ' VAL . 94.2 mt -73.2 -41.61 63.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.415 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.43 -28.93 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.27 -42.68 99.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' HG2' HD11 ' B' ' 101' ' ' LEU . 1.2 tp60 -64.24 -41.32 97.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 176.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 11' ' ' LEU . 90.3 t -62.16 -52.13 63.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.96 0.409 . . . . 0.0 110.522 177.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.66 -28.05 69.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.713 179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -63.65 -40.76 97.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.552 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.554 HG12 HD12 ' A' ' 67' ' ' LEU . 84.2 t -64.26 -48.72 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.092 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.39 99.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.161 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -65.51 -27.56 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.6 0.36 . . . . 0.0 111.07 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.05 -11.59 43.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.679 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.0 -10.68 24.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.903 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.77 55.34 2.68 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.678 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.4 t-20 -170.83 110.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.488 176.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.19 78.26 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.407 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -60.94 -38.73 86.89 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.922 0.361 . . . . 0.0 111.756 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 24' ' ' ASN . 9.3 ptp180 -80.28 -24.28 40.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 69.8 mt -73.85 -13.43 60.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -176.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.73 -33.17 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.58 -42.9 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.278 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' HA ' ' HB2' ' A' ' 34' ' ' LEU . 77.3 mt -66.52 -30.77 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.907 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.9 -36.86 84.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 110.089 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.12 -36.48 47.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.679 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 2.7 mm? -70.21 -27.3 64.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.845 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -17.36 64.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.101 0.477 . . . . 0.0 110.835 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -83.31 -22.74 32.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.315 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.16 -175.43 30.86 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.101 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -72.18 127.04 31.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.133 0.492 . . . . 0.0 110.295 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -119.33 143.32 47.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.738 -173.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -77.5 148.79 35.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 77' ' ' GLN . 57.4 t -53.34 -39.11 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 111.079 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.404 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 42.9 mt-10 -61.75 -49.3 76.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.132 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -62.21 -48.99 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.75 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.363 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -57.48 -51.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.71 99.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.501 ' HB ' ' HE1' ' A' ' 50' ' ' MET . 23.1 p -81.65 -11.99 58.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.73 36.2 37.99 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.674 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.501 ' HE1' ' HB ' ' A' ' 48' ' ' THR . 23.5 ptp -132.68 175.16 9.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.693 0.246 . . . . 0.0 110.639 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.51 164.84 21.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.79 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 92.0 mt -61.18 -44.22 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -67.18 -31.79 72.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.818 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.7 m -71.27 -45.79 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.237 0.541 . . . . 0.0 110.358 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.49 89.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.077 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.6 p -67.96 -26.89 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.23 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.17 87.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.206 0.527 . . . . 0.0 110.271 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -67.05 -42.9 84.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.078 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.66 -36.29 78.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.732 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.55 -41.94 95.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.157 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.18 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.951 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.84 -28.45 65.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.212 0.53 . . . . 0.0 110.475 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -71.33 -45.36 63.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.321 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -72.24 -26.88 62.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.35 -25.6 74.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.781 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.09 21.82 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.901 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.554 HD12 HG12 ' A' ' 18' ' ' VAL . 10.1 mp -96.28 -41.5 8.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.51 155.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.308 0.575 . . . . 0.0 111.912 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.566 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 47.7 mt-10 -110.98 168.38 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.642 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.83 122.53 34.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HB3' ' OE2' ' A' ' 73' ' ' GLU . 17.0 mtp180 -123.96 123.09 39.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.415 175.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -97.06 105.99 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.403 ' OE2' ' HB3' ' A' ' 71' ' ' ARG . 35.7 mm-40 -100.6 104.06 15.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.571 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.87 -112.18 4.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.885 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m -104.44 -13.38 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.965 0.412 . . . . 0.0 110.707 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -102.33 145.51 29.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.518 -176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 41' ' ' VAL . 35.9 tt0 -105.89 130.9 53.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.062 0.458 . . . . 0.0 109.935 177.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -112.84 148.56 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.196 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -120.56 139.9 52.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.374 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -142.74 163.03 33.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.401 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.65 135.47 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.566 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.24 -38.32 68.34 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -174.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -169.49 173.71 43.8 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.988 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.09 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.532 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.05 -47.52 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.2 t -66.07 -40.37 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.28 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.641 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -66.21 -32.47 73.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.753 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.8 tp -59.68 -49.38 77.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.378 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.53 -36.8 85.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.477 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.65 -40.69 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.1 -38.65 69.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.266 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.69 -29.89 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.055 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.32 -43.16 99.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.709 174.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.431 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 57.5 t -54.4 -52.96 34.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.076 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.457 176.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.578 HG21 HG23 ' B' ' 86' ' ' VAL . 46.4 t -53.84 -47.27 63.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.897 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HB1' ' CG ' ' B' ' 14' ' ' GLN . . . -60.14 -50.35 74.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.379 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.9 -43.78 91.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.523 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 95' ' ' VAL . 32.3 mm-40 -63.67 -31.68 72.92 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.95 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -105.58 -2.52 23.42 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.58 -47.03 77.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.878 0.371 . . . . 0.0 111.051 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -148.06 161.35 41.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.873 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -126.12 85.3 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.109 0.48 . . . . 0.0 110.763 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.406 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 21.8 m170 -94.83 -138.35 0.23 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 171.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 104' ' ' HIS . 72.7 t60 72.16 -66.25 0.31 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.367 0.417 . . . . 0.0 111.264 173.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -139.32 99.86 3.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -77.46 102.28 6.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.219 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--O 1.249 1.061 0 O-C-N 123.846 0.716 . . . . 0.0 110.8 178.285 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.4 ' HB3' ' H ' ' B' ' 2' ' ' ALA . 24.9 mmt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . 0.4 ' H ' ' HB3' ' B' ' 1' ' ' MET . . . 72.18 -61.74 0.48 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.609 0.764 . . . . 0.0 111.387 -178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.39 166.86 25.42 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -116.8 132.09 56.78 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 67.34 116.8 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.886 0.741 . . . . 0.0 109.749 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -113.17 15.95 19.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.61 -170.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -70.39 -43.63 69.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.949 0.404 . . . . 0.0 110.683 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.26 -46.22 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.345 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.311 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.21 74.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.317 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.09 -32.59 69.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.46 . . . . 0.0 110.48 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.99 -37.24 61.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.571 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.01 -14.73 59.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.822 0.344 . . . . 0.0 110.792 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.437 ' CG ' ' HB1' ' A' ' 97' ' ' ALA . 7.3 tp60 -76.05 -45.8 32.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.74 -27.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.143 0.497 . . . . 0.0 109.948 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -36.44 82.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.281 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' B' ' 14' ' ' GLN . 39.7 ttt180 -62.03 -38.2 87.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.537 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.37 -50.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.04 -29.46 74.44 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.294 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.76 -39.7 94.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.039 0.447 . . . . 0.0 110.087 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -26.6 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 110.561 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.71 21.95 5.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.089 -179.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.26 13.85 33.79 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -170.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.621 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 1.6 p30 -142.78 162.87 34.33 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.734 -0.604 . . . . 0.0 110.173 172.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.66 -48.86 6.01 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -166.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -82.02 -10.63 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -166.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.598 ' HG2' ' OD1' ' B' ' 24' ' ' ASN . 22.6 ptt180 -91.82 -9.17 44.44 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 118.986 -1.085 . . . . 0.0 109.957 172.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 85.6 mt -73.15 -27.76 61.84 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.89 -31.09 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.081 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 63.2 mt -69.75 -39.37 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 177.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.99 -41.15 97.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.497 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.21 -33.08 74.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.452 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.442 HD22 HG12 ' B' ' 44' ' ' ILE . 10.4 tt -77.27 -28.19 53.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.025 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.586 HD13 HG12 ' B' ' 68' ' ' VAL . 82.2 mt -95.18 -6.93 40.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.314 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.66 -8.92 51.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.147 0.499 . . . . 0.0 110.484 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.86 12.82 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.584 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.16 176.01 14.14 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.982 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.461 ' C ' ' HD2' ' B' ' 39' ' ' ARG . 0.9 OUTLIER -91.57 125.24 36.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.154 0.502 . . . . 0.0 110.623 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.461 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -129.04 150.88 50.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.477 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.07 156.71 23.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 t -49.64 -37.79 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 123.6 0.562 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.1 -50.41 74.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.686 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.85 79.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.125 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.477 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.7 mt -57.43 -50.5 76.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.28 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.262 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 61.7 m -62.27 -47.6 83.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.72 74.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.679 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.42 ' HB ' ' HE3' ' B' ' 50' ' ' MET . 17.4 p -88.19 -7.99 56.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 111.723 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.23 36.56 45.0 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.685 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.42 ' HE3' ' HB ' ' B' ' 48' ' ' THR . 25.2 ptp -130.72 178.88 6.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.767 0.283 . . . . 0.0 110.341 178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -87.32 154.14 20.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.65 -42.41 88.33 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.573 0.225 . . . . 0.0 111.565 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 28.8 m -66.28 -36.74 83.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.973 0.416 . . . . 0.0 110.337 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -64.48 -47.14 80.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.291 0.567 . . . . 0.0 110.191 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.891 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -62.46 -33.55 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.91 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.13 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.43 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -64.73 -39.92 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.489 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.37 -35.57 81.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.089 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -64.0 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.182 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.76 -45.75 81.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.579 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.35 -36.27 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.418 ' HE2' ' HB1' ' B' ' 70' ' ' ALA . 40.1 ttmt -64.46 -44.47 90.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.0 m -67.31 -32.66 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.407 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.95 -17.15 79.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.414 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 20.62 49.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.92 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.51 -40.59 18.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.586 HG12 HD13 ' B' ' 34' ' ' LEU . 27.4 m -133.21 150.27 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 111.731 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -106.09 149.19 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.876 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . 0.418 ' HB1' ' HE2' ' B' ' 63' ' ' LYS . . . -102.93 128.69 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 0.0 110.819 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.65 108.34 11.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.742 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' B' ' 72' ' ' ARG . 48.6 mtt180 -83.76 131.31 34.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 112.52 9.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.59 -102.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.994 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -113.3 -17.24 12.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.188 0.518 . . . . 0.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . 0.516 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 72.3 mtt180 -98.88 146.57 25.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.16 0.505 . . . . 0.0 111.861 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -100.42 107.88 19.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.516 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 97.4 m-85 -92.12 146.59 23.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.267 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.483 ' HB3' HD12 ' B' ' 34' ' ' LEU . 42.8 m-85 -122.01 143.04 49.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.192 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 18.9 ttm-85 -145.09 154.78 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.469 HD12 HG11 ' B' ' 68' ' ' VAL . 43.8 mm -51.67 134.09 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.11 62.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.284 -173.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.33 152.46 24.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.0 -31.94 73.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.067 0.434 . . . . 0.0 110.251 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -35.7 81.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.578 HG23 HG21 ' A' ' 96' ' ' VAL . 36.1 t -69.8 -37.33 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.174 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 110.205 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.04 -25.26 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.993 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.53 -35.16 79.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.317 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.486 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -68.99 -43.17 75.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.837 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 60.6 tp -57.47 -51.23 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.216 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.499 ' HA ' HG13 ' B' ' 96' ' ' VAL . 10.5 p -66.47 -29.4 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.651 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.01 -45.94 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.176 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.486 HG21 ' O ' ' B' ' 91' ' ' ALA . 85.0 t -66.26 -45.65 89.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.216 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.499 HG13 ' HA ' ' B' ' 93' ' ' VAL . 8.0 p -61.44 -32.86 54.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.589 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.34 -46.31 28.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.021 0.438 . . . . 0.0 110.588 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.74 -37.41 84.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -85.09 -41.64 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.459 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -75.5 -28.31 59.12 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.414 HD11 ' HG2' ' A' ' 14' ' ' GLN . 11.0 mp -80.42 149.88 29.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.756 0.312 . . . . 0.0 110.57 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 58.42 91.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.348 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -129.54 93.79 3.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -88.06 68.29 9.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -159.41 126.04 4.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.321 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 59.77 74.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.803 0.689 . . . . 0.0 109.893 -174.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -65.27 -25.14 67.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.572 -174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.633 175.847 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.778 0.323 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.3 141.96 28.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.339 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.16 43.47 1.83 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.12 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 62.0 -83.2 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.232 0.613 . . . . 0.0 111.05 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 m 61.9 40.42 12.58 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 111.824 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.408 ' HA ' ' HZ3' ' A' ' 8' ' ' LYS . 13.2 m-20 -78.81 5.63 10.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 110.852 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 -65.53 -15.64 62.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.477 172.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' HZ3' ' HA ' ' A' ' 6' ' ' ASP . 24.2 pttm -55.33 -28.7 55.45 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.275 178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.91 69.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.118 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.4 71.85 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.088 0.471 . . . . 0.0 110.618 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 tt -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.54 -26.08 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.538 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.1 -50.75 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.765 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.475 HE21 HG23 ' A' ' 18' ' ' VAL . 23.1 tp60 -67.26 -40.61 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.374 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -59.68 -44.56 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.26 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.695 ' HA ' ' O ' ' B' ' 23' ' ' ALA . . . -62.23 -35.74 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.115 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.583 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 37.7 ttm105 -73.21 -32.33 64.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.725 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.493 HG13 HD12 ' A' ' 67' ' ' LEU . 70.1 t -73.29 -47.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.19 175.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.17 -41.67 99.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.686 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -59.75 -39.11 83.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 110.538 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.82 61.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.117 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.55 -32.67 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.282 0.563 . . . . 0.0 110.3 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.34 101.16 4.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -162.93 -67.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.73 176.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 -85.24 0.38 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.349 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -73.15 -28.34 62.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HD3' ' OD1' ' A' ' 58' ' ' ASN . 50.7 ttp85 -70.24 -15.81 62.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.288 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.0 -17.48 60.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.169 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.34 -24.86 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 109.982 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -69.97 -36.87 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.961 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.13 -34.97 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.9 -30.79 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD21 ' HG2' ' A' ' 39' ' ' ARG . 6.9 tt -79.45 -45.14 19.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.955 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.27 -11.23 60.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.46 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.01 -14.61 62.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -82.15 -20.42 37.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.149 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.96 -155.18 23.68 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.617 ' HG3' ' HB3' ' A' ' 80' ' ' ARG . 26.9 tt0 -86.91 115.79 24.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HG2' HD21 ' A' ' 33' ' ' LEU . 6.6 tpt180 -125.97 147.97 49.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.804 -171.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 156.11 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.041 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.42 -41.16 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.827 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.524 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 1.8 mp0 -58.74 -45.71 89.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.344 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.04 97.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.876 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.4 -48.98 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.547 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.69 -50.89 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.088 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -59.66 -49.04 79.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.093 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.09 77.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -81.33 -19.52 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.228 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.87 15.97 57.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.328 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -114.32 176.4 5.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.679 0.275 . . . . 0.0 110.532 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -88.15 168.85 12.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.39 -46.65 87.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.805 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 t -67.31 -28.26 67.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 110.436 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -71.45 -46.19 60.64 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.382 0.61 . . . . 0.0 109.933 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.8 77.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 p -66.24 -31.11 71.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.48 96.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' OD1' ' HD3' ' A' ' 27' ' ' ARG . 34.9 m-80 -72.37 -35.37 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.404 HD22 HD12 ' A' ' 62' ' ' LEU . 78.9 mt -65.1 -36.98 86.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 176.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.883 176.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.56 91.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.764 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 59' ' ' LEU . 87.3 mt -63.44 -41.62 98.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.723 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -68.87 -36.28 77.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.547 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.8 m -63.78 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.583 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -77.73 -26.81 60.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.039 175.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.97 21.04 11.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.493 HD12 HG13 ' A' ' 18' ' ' VAL . 1.4 mp -94.49 -40.45 9.88 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 m -123.77 163.41 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.278 0.561 . . . . 0.0 112.171 -174.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -126.69 172.8 10.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.868 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -144.9 132.66 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.858 0.361 . . . . 0.0 111.021 -177.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -124.64 121.78 35.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.034 176.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -81.0 96.76 7.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 174.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -109.83 129.61 55.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.01 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.68 -101.14 0.97 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.441 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 m -131.86 1.82 3.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 0.0 110.485 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.524 ' HD3' ' OE1' ' A' ' 42' ' ' GLU . 57.0 mtt180 -119.27 168.79 10.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.036 -175.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -102.66 122.55 44.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.713 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -108.3 124.99 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 27.1 m-85 -100.52 148.05 25.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.266 0.555 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.617 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . 6.2 ptm180 -144.75 169.85 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.938 -175.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.11 140.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 39.26 0.46 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 143.13 138.25 3.4 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.93 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.66 -30.05 70.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 110.149 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.1 -34.7 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.492 . . . . 0.0 109.948 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.0 -35.5 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.868 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.46 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -72.73 -20.33 61.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.67 -49.54 74.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -66.55 -37.47 85.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.44 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.47 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -63.95 -44.84 91.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.45 -51.25 70.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.896 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.09 -30.14 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 110.925 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -69.35 -40.59 77.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.331 . . . . 0.0 110.207 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.47 HG21 ' O ' ' A' ' 91' ' ' ALA . 74.1 t -63.19 -47.19 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.431 176.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.67 -39.66 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 176.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 100' ' ' HIS . . . -60.01 -49.1 78.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.767 177.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.61 -48.52 74.57 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -64.59 -22.38 66.96 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.122 0.487 . . . . 0.0 110.741 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 97' ' ' ALA . 10.9 m170 -61.41 -31.31 71.23 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.557 176.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.43 -41.08 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -80.16 -41.14 25.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.467 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 62.9 -171.47 0.17 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.86 0.362 . . . . 0.0 110.085 -174.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -137.4 36.46 2.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.571 0.7 . . . . 0.0 109.77 170.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -78.57 71.39 5.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.367 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -166.26 22.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.954 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -160.91 -69.75 0.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.668 -175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.2 p80 . . . . . 0 C--O 1.247 0.952 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 171.862 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.902 0.382 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.48 98.44 3.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.481 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.73 -13.75 71.85 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.963 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 60.92 25.06 15.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.131 0.491 . . . . 0.0 110.981 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -113.09 122.59 48.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.913 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -110.25 22.6 15.34 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -64.9 -38.97 92.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.894 -172.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' B' ' 12' ' ' LEU . 18.1 ptpt -61.32 -24.95 66.81 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.798 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.73 -30.36 62.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 110.278 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.448 ' O ' HG22 ' B' ' 15' ' ' VAL . 9.9 mp -74.26 -41.55 61.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' B' ' 8' ' ' LYS . 89.2 mt -62.54 -35.87 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.351 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 21.3 t70 -63.39 -43.02 98.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.487 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.07 -45.21 94.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.953 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.448 HG22 ' O ' ' B' ' 11' ' ' LEU . 86.9 t -59.42 -39.52 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.299 176.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.55 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.445 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 57.3 mtt180 -65.37 -42.31 92.85 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 109.964 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.451 HG12 HD11 ' B' ' 67' ' ' LEU . 91.3 t -62.09 -42.92 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.662 174.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.28 -26.47 71.66 Favored Glycine 0 C--O 1.221 -0.697 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.014 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.96 -30.83 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.299 0.55 . . . . 0.0 110.859 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' B' ' 62' ' ' LEU . . . -77.05 -42.06 39.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 109.913 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.471 ' HB2' HD21 ' B' ' 67' ' ' LEU . 33.0 tp -90.15 19.54 4.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.242 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.695 ' O ' ' HA ' ' A' ' 16' ' ' ALA . . . -69.01 -81.18 0.04 OUTLIER 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.53 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.436 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 29.8 p30 -146.88 178.78 8.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.145 0.498 . . . . 0.0 111.762 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.66 173.91 30.83 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.345 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -70.89 -3.17 17.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.99 0.424 . . . . 0.0 110.672 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.571 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 76.9 mtm180 -58.55 -35.6 72.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.423 ' HA ' HD11 ' B' ' 31' ' ' LEU . 66.1 mt -66.65 -33.44 75.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.854 177.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -66.75 -36.29 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.677 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.475 HG12 HG21 ' B' ' 48' ' ' THR . 67.2 mt -66.23 -39.65 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.263 177.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.423 HD11 ' HA ' ' B' ' 28' ' ' LEU . 96.0 mt -56.58 -46.74 80.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.193 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.592 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 19.9 t70 -62.0 -41.38 97.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.497 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.401 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 30.6 tp -63.6 -33.42 75.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.426 HD12 HG11 ' B' ' 68' ' ' VAL . 69.3 mt -85.49 -19.2 31.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.403 . . . . 0.0 111.024 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 -26.66 60.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 109.848 174.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 74.8 mt-30 -69.52 -27.95 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.672 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.88 171.87 33.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.288 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.506 ' HG3' ' HB2' ' B' ' 80' ' ' ARG . 25.3 tt0 -75.37 125.6 29.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.401 ' NE ' ' HG ' ' B' ' 33' ' ' LEU . 26.9 ttm-85 -135.06 137.23 42.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.128 0.49 . . . . 0.0 111.468 -171.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.478 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -77.78 151.83 33.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.687 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.43 -46.67 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 O-C-N 123.484 0.49 . . . . 0.0 112.099 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -58.53 -41.91 86.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.371 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.02 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.478 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.7 mt -58.92 -51.66 69.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.28 177.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.445 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -56.08 -49.23 74.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.366 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -60.98 -48.82 80.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.434 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -33.59 76.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 0.0 111.777 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' THR . . . . . 0.478 ' HB ' ' HE3' ' B' ' 50' ' ' MET . 28.3 p -86.03 -15.33 41.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.455 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 19.85 67.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.478 ' HE3' ' HB ' ' B' ' 48' ' ' THR . 75.3 mtm -115.57 152.26 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -72.81 158.45 35.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.35 -35.52 62.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.514 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -64.52 -46.13 84.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.156 0.503 . . . . 0.0 110.671 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 18.7 m -66.72 -45.74 77.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.94 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -52.95 63.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.197 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -56.39 -49.69 73.74 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.284 0.365 . . . . 0.0 111.224 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.01 -43.44 77.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 111.423 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.571 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 46.4 m-80 -73.5 -36.65 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.423 HD23 HG23 ' B' ' 30' ' ' ILE . 87.9 mt -64.6 -42.79 95.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.736 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.68 -33.26 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.3 -48.97 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.747 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.459 ' HA ' ' HB3' ' B' ' 21' ' ' ALA . 70.7 mt -60.75 -37.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.18 177.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -68.67 -35.95 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.157 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 53.0 m -70.22 -23.39 62.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.42 -13.2 74.03 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.918 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.43 22.36 47.81 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.305 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.546 ' HA ' HG12 ' B' ' 86' ' ' VAL . 8.7 mp -86.27 -48.49 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.87 0.367 . . . . 0.0 111.082 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.431 HG13 HD13 ' B' ' 81' ' ' ILE . 33.5 m -126.91 155.32 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.655 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -119.32 167.3 12.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.06 111.75 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.862 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -97.1 107.61 20.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.711 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -91.62 102.69 15.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.736 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.33 107.05 13.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.316 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.81 -115.02 4.82 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.444 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -106.55 -6.95 17.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 0.0 110.176 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -98.14 136.84 37.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.679 -173.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -103.75 109.95 21.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.486 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.402 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 97.1 m-85 -93.5 122.19 35.68 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.056 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.04 133.63 47.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.172 0.51 . . . . 0.0 110.272 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.55 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 1.5 tmm_? -151.19 156.1 40.23 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.55 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 33.7 mm -51.13 128.2 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.307 0.379 . . . . 0.0 110.646 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.04 89.61 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.507 -173.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.83 147.77 19.23 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 34.6 tt0 -62.86 -33.44 75.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.03 0.415 . . . . 0.0 110.335 -176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . 0.573 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 6.7 m-20 -62.48 -31.94 72.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' B' ' 67' ' ' LEU . 61.7 t -65.93 -43.19 92.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.161 0.505 . . . . 0.0 109.779 175.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.41 91.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.33 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.573 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 97.8 mtt180 -61.33 -39.84 92.01 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.146 176.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.55 -47.23 82.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.686 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.52 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.586 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.404 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -66.86 -39.86 87.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.287 177.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.535 ' O ' HG22 ' B' ' 96' ' ' VAL . 52.3 tp -62.9 -53.53 52.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.518 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.5 p -64.66 -26.85 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -61.25 -46.9 88.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 109.81 174.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.462 ' O ' ' HG3' ' B' ' 99' ' ' GLU . 60.9 t -68.63 -42.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.293 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.535 HG22 ' O ' ' B' ' 92' ' ' LEU . 95.0 t -61.77 -15.58 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.366 0.603 . . . . 0.0 110.942 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.668 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -85.96 -56.84 3.28 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.723 173.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.55 -44.7 77.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -170.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -92.05 -13.72 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.938 -172.328 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -86.95 -19.73 28.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.967 0.413 . . . . 0.0 110.455 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' B' ' 97' ' ' ALA . 74.1 mt -81.76 -24.34 36.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.928 175.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.19 121.57 21.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.984 -174.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -99.16 110.14 22.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.585 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . 0.488 ' HB3' ' HB3' ' B' ' 107' ' ' HIS . 34.1 m80 -84.46 -45.52 12.58 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 66.84 -66.09 0.19 Allowed 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.281 0.988 . . . . 0.0 111.622 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -70.38 -38.48 74.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.134 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . 0.488 ' HB3' ' HB3' ' B' ' 104' ' ' HIS . 47.2 t60 -79.3 107.34 11.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.384 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.341 176.416 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.32 81.16 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.368 0.604 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.92 133.9 1.58 Allowed Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -70.65 101.24 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.087 0.47 . . . . 0.0 110.08 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -87.86 119.33 28.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.896 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 49.97 70.5 0.49 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.297 0.998 . . . . 0.0 111.749 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -90.12 -61.87 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.981 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.91 -29.15 69.42 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.532 0.206 . . . . 0.0 111.12 -174.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.46 -29.31 64.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.509 178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.62 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' B' ' 98' ' ' ASP . 4.2 mm? -69.75 -51.5 33.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.828 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.92 -19.98 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.36 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.57 -43.34 90.12 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.847 175.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.507 ' HB2' ' HB2' ' B' ' 97' ' ' ALA . 4.7 mm-40 -67.69 -45.61 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.962 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.86 -39.76 58.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.398 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.54 -54.4 47.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.581 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.37 -34.84 75.16 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.804 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 14' ' ' GLN . 96.5 t -64.71 -50.0 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.905 0.383 . . . . 0.0 110.238 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.05 -34.32 86.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.356 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -68.82 -35.61 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.634 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.98 72.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.0 0.429 . . . . 0.0 110.211 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -35.62 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.987 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 100.4 3.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.322 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.32 -41.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.264 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 82.07 -53.18 4.72 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.05 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.33 -43.55 92.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.725 0.297 . . . . 0.0 111.108 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -72.29 -15.62 61.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD12 ' HA2' ' A' ' 25' ' ' GLY . 80.4 mt -76.03 -14.14 60.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 111.016 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.72 -25.45 67.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.174 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.602 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 69.9 mt -69.44 -48.74 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 67' ' ' LEU . 96.1 mt -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.44 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.508 ' CG ' ' HZ2' ' B' ' 8' ' ' LYS . 33.3 t70 -63.13 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.85 178.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 52.6 tp -72.88 -33.86 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.624 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 73.9 mt -79.77 -12.92 59.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.968 0.413 . . . . 0.0 110.958 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.58 -18.88 61.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.029 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.8 pt20 -100.49 6.83 44.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.15 0.5 . . . . 0.0 110.149 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.07 156.37 7.12 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.293 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.47 131.88 43.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 139.35 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 -170.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.562 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -66.57 159.49 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.155 177.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.39 -52.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.607 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.22 -37.6 83.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.795 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.48 84.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.515 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.98 -44.48 98.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.32 82.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.971 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.4 m -61.99 -47.52 84.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.63 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.652 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -85.79 -14.18 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.33 . . . . 0.0 111.534 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.52 25.5 63.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.185 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.8 mtm -110.55 175.84 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.426 ' HB2' ' OG1' ' A' ' 54' ' ' THR . 0.9 OUTLIER -80.63 160.68 24.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.692 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.83 -35.49 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -60.28 -46.82 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.245 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.426 ' OG1' ' HB2' ' A' ' 51' ' ' ASN . 3.0 m -62.47 -46.44 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.62 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.495 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -61.33 -56.09 24.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.113 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -60.53 -36.09 77.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.736 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.93 96.48 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.943 0.402 . . . . 0.0 110.842 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -73.19 -35.08 66.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.813 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.2 mt -61.46 -45.07 95.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.718 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -64.82 -37.32 87.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.626 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.38 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.037 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.427 ' HB3' ' HB2' ' A' ' 67' ' ' LEU . 87.8 mt -65.45 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.716 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 m -69.17 -25.2 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.836 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.89 -11.66 61.42 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.171 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.32 25.48 28.38 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.693 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.427 ' HB2' ' HB3' ' A' ' 62' ' ' LEU . 3.9 mm? -90.86 -48.25 7.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.23 157.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 112.065 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.863 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.96 159.99 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.969 179.203 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.38 129.67 52.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.232 0.539 . . . . 0.0 111.869 -174.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -109.0 117.2 33.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.358 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -89.44 115.78 27.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.015 0.436 . . . . 0.0 111.272 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -132.7 99.3 4.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.62 173.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.77 -129.07 27.11 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.919 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -87.6 -5.17 58.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -107.42 141.47 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.568 . . . . 0.0 111.746 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -114.17 117.56 31.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.506 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 89.0 m-85 -89.51 125.91 35.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.385 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 31.6 m-85 -99.77 145.5 27.63 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.449 0.642 . . . . 0.0 110.348 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.444 ' HE ' ' HB3' ' A' ' 69' ' ' GLU . 31.4 ptt180 -144.4 170.54 15.82 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.734 -173.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.82 127.96 31.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 172.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.863 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -53.17 -46.96 69.16 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.386 0.429 . . . . 0.0 111.891 -172.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.86 159.5 27.62 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.808 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -22.0 65.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.305 0.574 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.47 -48.69 78.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.423 174.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.72 -35.67 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.464 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.4 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.921 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -75.71 -24.95 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.452 HD11 HG23 ' B' ' 93' ' ' VAL . 9.3 tt -65.38 -45.75 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.561 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 60.5 t80 -64.15 -41.61 97.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.009 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.6 -36.64 84.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.728 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.11 -48.55 73.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.529 ' HA ' HG11 ' A' ' 96' ' ' VAL . 26.6 m -65.33 -28.72 45.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.672 0.273 . . . . 0.0 111.018 -177.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.632 ' HA ' HD22 ' B' ' 11' ' ' LEU . 55.9 mt-30 -64.28 -46.08 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.32 . . . . 0.0 110.166 175.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.2 t -65.58 -50.26 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' A' ' 93' ' ' VAL . 12.3 p -63.02 -30.76 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.703 0.287 . . . . 0.0 111.492 -175.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.482 ' HB2' ' HG ' ' B' ' 11' ' ' LEU . . . -84.99 -46.21 11.42 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.371 -0.206 . . . . 0.0 111.491 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.535 ' HB2' HD11 ' B' ' 11' ' ' LEU . 14.0 t70 -76.67 -41.19 46.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -173.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.84 -19.45 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -170.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.438 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 12.0 p80 -96.59 -3.49 42.88 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.127 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 97' ' ' ALA . 96.3 mt -80.03 -53.85 6.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.703 0.287 . . . . 0.0 111.154 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.39 121.04 9.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.858 -172.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 64.52 15.77 9.83 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.381 174.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 100' ' ' HIS . 73.1 t60 -134.99 41.98 2.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.341 0.591 . . . . 0.0 110.167 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -152.29 112.61 4.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.266 0.555 . . . . 0.0 110.642 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -115.57 13.13 16.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.025 0.441 . . . . 0.0 110.448 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -155.78 86.39 1.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 83.3 t60 . . . . . 0 C--O 1.245 0.845 0 O-C-N 123.871 0.732 . . . . 0.0 109.813 -170.874 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptp . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.842 0.353 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.54 -50.0 0.24 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.177 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.09 110.0 1.07 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.723 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -83.82 77.93 9.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.969 0.414 . . . . 0.0 110.276 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 53.5 m -111.05 153.16 26.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.355 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -93.52 126.95 38.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.294 -174.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 36.3 mtm-85 -92.54 -5.5 51.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.034 0.445 . . . . 0.0 111.12 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.508 ' HZ2' ' CG ' ' A' ' 32' ' ' ASP . 1.5 tmtp? -89.1 -39.64 13.48 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.44 93.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.171 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.19 -28.23 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.632 HD22 ' HA ' ' A' ' 94' ' ' GLN . 7.0 tt -68.08 -51.06 50.77 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.554 ' HA ' HG23 ' B' ' 15' ' ' VAL . 84.8 mt -63.32 -34.42 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.74 -42.39 99.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.822 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.66 -43.46 59.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.741 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.554 HG23 ' HA ' ' B' ' 12' ' ' LEU . 33.4 m -69.89 -28.01 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.94 -33.06 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 56.0 ttp180 -63.27 -44.37 95.3 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.082 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.419 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 96.7 t -60.8 -51.85 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.27 -30.23 76.91 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.405 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -64.76 -35.19 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.92 0.39 . . . . 0.0 110.37 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.459 ' HB3' HD22 ' B' ' 62' ' ' LEU . . . -77.27 -29.36 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 91.2 mt -72.9 -35.34 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.3 92.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.731 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -176.01 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.932 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 -55.7 4.41 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.795 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 -175.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.78 -13.29 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.975 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.1 -18.82 62.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -65.02 -28.32 69.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.69 -47.08 90.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.945 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.847 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.44 -45.89 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.835 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.06 -43.91 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.544 HD13 HG11 ' B' ' 68' ' ' VAL . 54.0 mt -78.17 -5.97 53.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.884 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.78 4.01 54.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 110.177 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -113.92 8.58 17.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.816 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.92 -160.05 26.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.599 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.54 127.72 54.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -123.25 142.34 51.03 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.176 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.417 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -72.27 155.28 40.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.964 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.75 -42.1 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.442 0.464 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.495 ' HG2' HD22 ' B' ' 52' ' ' LEU . 35.4 mt-10 -60.58 -41.2 94.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.096 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.21 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' B' ' 79' ' ' TYR . 72.1 mt -59.43 -45.26 93.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.401 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.05 -52.52 64.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.732 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.0 m -60.18 -48.7 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.5 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.95 76.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.137 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -87.04 -21.51 26.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.663 0.268 . . . . 0.0 111.396 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.49 66.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.074 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.1 mtm -107.66 123.6 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -56.28 155.87 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.212 0.32 . . . . 0.0 111.079 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . 0.495 HD22 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -45.67 -47.5 15.02 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.6 m -60.26 -45.4 93.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.009 0.433 . . . . 0.0 110.929 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -67.37 -40.96 85.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.742 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.94 -50.47 70.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' SER . . . . . 0.528 ' HA ' HD12 ' B' ' 59' ' ' LEU . 21.0 p -66.43 -26.38 67.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.379 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.87 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.925 0.393 . . . . 0.0 110.258 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -69.5 -37.05 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.473 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' B' ' 56' ' ' SER . 92.8 mt -58.97 -46.71 87.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.679 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -62.95 -37.53 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.893 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.54 94.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' B' ' 21' ' ' ALA . 90.8 mt -71.63 -35.92 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -68.02 -36.77 80.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 45.5 t -64.65 -28.57 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.447 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.475 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -75.16 -27.75 63.49 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.745 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.49 20.87 11.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.136 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.63 -54.18 4.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.156 0.503 . . . . 0.0 111.302 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.544 HG11 HD13 ' B' ' 34' ' ' LEU . 32.3 m -115.55 164.66 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.147 0.498 . . . . 0.0 112.001 -173.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.55 172.86 10.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.924 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.89 129.81 24.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.24 155.44 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.757 0.313 . . . . 0.0 110.556 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -91.75 133.54 35.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.073 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -139.89 97.35 3.23 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.51 -108.12 2.36 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.642 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 39.6 m -104.27 -22.3 13.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.895 0.378 . . . . 0.0 111.025 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -109.98 157.64 19.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 0.0 111.627 -172.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -99.25 143.77 29.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.187 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.29 129.99 56.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.327 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.514 ' HB2' HD12 ' B' ' 44' ' ' ILE . 28.5 m-85 -101.16 151.5 21.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.142 0.496 . . . . 0.0 110.99 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.505 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 33.4 ttm180 -161.67 164.26 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.505 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 49.1 mm -59.35 140.49 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 173.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.15 -47.63 62.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.49 -171.43 38.03 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.395 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -37.96 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.805 0.442 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . 0.476 ' OD1' HG22 ' B' ' 86' ' ' VAL . 0.4 OUTLIER -52.77 -65.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.858 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.476 HG22 ' OD1' ' B' ' 85' ' ' ASP . 63.4 t -63.64 -34.01 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.242 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.3 78.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.707 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -73.12 -21.79 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.13 -60.1 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -59.49 -36.2 75.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.075 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.616 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -59.37 -49.71 76.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.344 . . . . 0.0 110.592 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.452 HG23 HD11 ' A' ' 89' ' ' LEU . 76.9 t -64.11 -41.82 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.043 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -24.39 60.88 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.626 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.616 HG21 ' O ' ' B' ' 91' ' ' ALA . 42.4 t -65.93 -50.34 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.532 0.206 . . . . 0.0 110.909 176.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -21.78 28.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.331 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.507 ' HB2' ' HB2' ' A' ' 14' ' ' GLN . . . -88.39 -15.51 35.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.395 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 26.4 t70 -92.94 -65.38 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -1.78 52.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -169.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -18.56 61.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.372 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -134.64 121.36 20.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.034 0.445 . . . . 0.0 110.306 177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.09 -49.94 1.7 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -151.98 -24.64 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.241 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -71.13 127.22 31.85 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.769 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -136.7 153.34 50.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.29 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -121.37 -72.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -152.27 100.85 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.645 173.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.803 -0.618 . . . . 0.0 110.084 178.065 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.691 0.281 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.88 -44.24 2.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.336 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.21 51.46 58.08 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -87.44 105.1 17.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.26 0.552 . . . . 0.0 111.388 -168.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -119.49 7.53 11.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 174.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.01 7.88 43.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.884 -174.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -65.17 -51.02 63.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.253 -174.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.479 ' HB2' ' HZ1' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -66.29 -34.23 77.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.355 179.522 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.51 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.5 67.82 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.11 -50.35 48.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.883 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.81 -28.19 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.99 -40.93 95.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.24 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HG2' HD13 ' B' ' 101' ' ' LEU . 24.1 tp60 -69.92 -40.51 75.51 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.237 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.11 -41.99 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.61 ' HB1' ' HB2' ' B' ' 24' ' ' ASN . . . -60.03 -42.69 94.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.06 177.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 23.0 ttm-85 -61.03 -38.41 86.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.674 0.273 . . . . 0.0 110.929 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.579 HG12 HD13 ' A' ' 67' ' ' LEU . 76.5 t -70.42 -50.02 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.72 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.05 97.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.074 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.96 -32.29 73.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.869 0.366 . . . . 0.0 110.684 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.73 50.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.427 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.54 -35.62 60.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.52 103.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.325 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -175.76 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.911 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 28' ' ' LEU . . . 103.66 -53.96 0.7 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.337 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -70.75 -37.65 73.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -67.56 -17.78 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD11 ' HA2' ' A' ' 25' ' ' GLY . 89.7 mt -72.39 -33.93 67.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.129 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -67.68 -30.13 69.58 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 109.793 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.501 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.1 mt -67.52 -44.35 86.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.984 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.79 -39.22 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 177.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.48 -40.15 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.975 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.51 -43.88 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 58.3 mt -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.197 -176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -9.68 58.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.673 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -104.21 4.21 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.33 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.04 154.91 6.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.664 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.723 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 8.4 pt-20 -75.26 126.44 31.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.224 0.535 . . . . 0.0 110.556 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -121.26 151.12 40.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 150.75 42.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.69 -41.81 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.422 ' HG2' HD22 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.11 -43.04 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.072 177.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.34 -40.84 57.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.822 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -57.29 -49.95 78.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.533 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.91 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.903 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -60.57 -49.47 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.31 86.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.419 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 27.2 p -84.44 -14.46 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 0.0 111.559 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.67 35.63 16.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.736 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.419 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 24.0 ptp -134.1 178.25 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -99.02 162.98 12.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.651 0.262 . . . . 0.0 110.61 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD22 ' HG2' ' A' ' 42' ' ' GLU . 8.7 mp -61.68 -37.98 86.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.535 -175.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.8 m -57.35 -49.43 76.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 111.172 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -69.13 -46.5 67.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.937 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.4 78.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.343 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -65.76 -36.51 83.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.805 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.89 85.73 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.355 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.97 -46.19 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.237 176.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' A' ' 79' ' ' TYR . 87.5 mt -61.75 -40.65 95.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.948 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.14 -41.51 98.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.15 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 0.0 110.388 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.0 mt -64.62 -38.78 92.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.337 178.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.37 -43.16 86.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.6 m -68.62 -27.07 65.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.934 0.397 . . . . 0.0 110.721 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -71.65 -30.47 66.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.456 171.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.16 18.3 10.6 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.434 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.579 HD13 HG12 ' A' ' 18' ' ' VAL . 10.9 mp -89.18 -45.18 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.33 155.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -117.9 164.7 14.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.104 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.44 129.33 49.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.005 0.431 . . . . 0.0 111.296 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -106.18 111.68 24.4 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 72' ' ' ARG . 43.5 ttm105 -83.85 97.76 9.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 109.657 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.98 103.57 13.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.39 -114.86 7.06 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.849 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -108.12 16.29 23.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.428 0.633 . . . . 0.0 110.278 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -120.87 146.14 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.213 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -110.97 115.79 30.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.011 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.1 m-85 -102.42 139.08 38.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.933 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.499 ' O ' HD23 ' A' ' 34' ' ' LEU . 26.9 m-85 -118.48 146.26 44.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.024 0.44 . . . . 0.0 111.185 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.723 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 10.3 ttp180 -159.21 160.83 35.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.211 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.97 129.4 13.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 O-C-N 123.201 0.313 . . . . 0.0 110.483 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.79 -59.47 4.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.136 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -127.18 170.27 18.91 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.784 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.81 -29.61 70.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.21 0.528 . . . . 0.0 110.144 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.628 ' HB2' HG23 ' B' ' 96' ' ' VAL . 2.0 p-10 -58.3 -49.1 78.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.345 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 67' ' ' LEU . 58.1 t -66.96 -40.61 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.86 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.75 90.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.678 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 88' ' ' ARG . 45.9 mtp180 -68.49 -35.11 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.756 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.04 -52.53 64.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.185 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.74 -35.52 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.46 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -67.66 -43.33 80.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.706 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.472 ' O ' HG22 ' A' ' 96' ' ' VAL . 61.9 tp -58.17 -55.47 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.51 -30.97 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.0 -46.62 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.308 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 91' ' ' ALA . 91.2 t -62.44 -41.82 93.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.791 0.329 . . . . 0.0 110.304 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 92' ' ' LEU . 84.7 t -56.62 -53.38 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.472 176.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.58 -49.06 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.782 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -60.19 -53.88 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.42 -174.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -80.28 -23.8 40.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -85.89 -26.97 25.31 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.414 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.4 tp -92.64 -18.33 23.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.673 0.273 . . . . 0.0 110.731 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -48.22 78.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.393 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.05 135.37 34.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 83.3 t60 64.76 46.12 3.16 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.666 0.746 . . . . 0.0 109.173 -173.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -80.87 107.73 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 111.187 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -77.68 94.87 4.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.098 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.506 ' HB2' ' OE1' ' B' ' 4' ' ' GLN . 10.5 p80 -76.7 119.55 20.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.126 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 124.248 1.019 . . . . 0.0 111.219 -171.397 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.58 178.41 7.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.167 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.62 170.64 12.01 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.087 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.506 ' OE1' ' HB2' ' A' ' 107' ' ' HIS . 1.5 mt-30 69.38 -178.43 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.959 0.504 . . . . 0.0 111.102 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -150.63 -82.29 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.882 0.372 . . . . 0.0 110.824 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -106.55 136.6 46.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 23.2 mtm180 -88.75 -34.91 16.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -58.9 -39.12 80.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.454 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.33 67.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.526 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.97 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.81 -42.82 60.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.822 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.05 -33.9 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.524 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . 0.558 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 12.4 t70 -62.67 -47.35 84.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 176.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.78 -45.52 82.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.004 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.38 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.077 0.465 . . . . 0.0 110.292 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . 0.512 ' HB3' ' HE3' ' B' ' 20' ' ' LYS . . . -62.61 -39.49 93.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.757 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 55.1 mtt180 -58.43 -45.7 87.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 110.645 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.112 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.02 94.12 Favored Glycine 0 C--O 1.223 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.512 ' HE3' ' HB3' ' B' ' 16' ' ' ALA . 93.3 mttt -67.95 -37.73 81.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.173 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.619 ' HB1' HD22 ' B' ' 62' ' ' LEU . . . -78.07 -42.29 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 0.0 110.646 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.472 HD23 HD22 ' B' ' 28' ' ' LEU . 0.5 OUTLIER -92.28 26.11 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.71 -78.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.405 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.61 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 3.8 p-10 -165.22 167.63 17.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.636 -174.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.57 20.8 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.055 170.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.429 ' O ' HG13 ' B' ' 30' ' ' ILE . 9.2 mtm180 -65.43 -22.53 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.118 -0.541 . . . . 0.0 111.346 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.2 -39.05 71.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.197 0.522 . . . . 0.0 110.469 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.472 HD22 HD23 ' B' ' 22' ' ' LEU . 16.8 mt -78.91 -29.14 44.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.704 -175.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.17 -34.33 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.53 HD12 ' HE3' ' B' ' 50' ' ' MET . 68.1 mt -64.55 -45.05 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.25 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.07 -42.4 94.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.82 -28.55 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.3 tp -79.68 -38.52 33.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 82.0 mt -71.63 -17.41 62.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.43 -5.38 42.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.2 0.524 . . . . 0.0 110.563 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -96.78 1.93 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.98 -129.06 3.63 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.761 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . 0.522 ' HB2' ' HD2' ' B' ' 80' ' ' ARG . 35.7 tt0 -133.22 117.27 17.22 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -131.1 146.24 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.837 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.624 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -74.77 154.46 38.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 77' ' ' GLN . 41.2 t -51.96 -42.76 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 O-C-N 123.484 0.49 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.01 -47.1 81.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.517 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.45 89.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.426 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.0 mt -60.75 -49.75 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.369 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' B' ' 50' ' ' MET . . . -58.41 -47.27 84.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.176 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.6 m -61.15 -49.57 76.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.007 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.86 88.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.904 -176.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 18.0 p -80.8 -17.51 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.785 0.326 . . . . 0.0 111.65 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 35.35 49.29 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -174.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.534 ' O ' ' HB2' ' B' ' 45' ' ' ALA . 28.0 ttp -125.39 143.26 51.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -75.41 155.81 35.99 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.473 -0.091 . . . . 0.0 110.972 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.16 -47.26 45.87 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -60.04 -46.86 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.072 0.463 . . . . 0.0 111.143 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' THR . . . . . 0.427 ' HB ' ' HG3' ' B' ' 50' ' ' MET . 3.7 m -67.55 -43.5 80.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.18 -52.17 60.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.771 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.4 p -61.86 -36.69 81.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.676 0.274 . . . . 0.0 111.135 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.11 87.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.668 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -66.16 -37.21 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.772 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.423 HD23 HG23 ' B' ' 30' ' ' ILE . 78.6 mt -64.08 -42.6 96.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.159 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.66 -36.49 78.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.644 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.74 79.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.619 HD22 ' HB1' ' B' ' 21' ' ' ALA . 81.8 mt -62.83 -39.33 94.03 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.705 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' B' ' 68' ' ' VAL . 50.2 tttm -65.37 -46.34 80.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 37.8 m -67.42 -25.76 66.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.086 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.79 -29.14 67.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.577 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.99 11.38 30.17 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.743 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.534 ' HA ' HG22 ' B' ' 86' ' ' VAL . 10.8 mp -82.93 -48.25 10.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.51 -175.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 81' ' ' ILE . 28.2 m -132.59 156.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.379 . . . . 0.0 111.168 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -122.43 166.0 15.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.251 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.81 136.27 49.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' B' ' 71' ' ' ARG . 35.5 ttt180 -117.56 145.66 44.12 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -128.81 125.51 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.013 -0.675 . . . . 0.0 112.311 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.441 ' HB2' ' HE2' ' B' ' 78' ' ' TYR . 70.5 mt-10 -122.12 108.95 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.742 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 -97.51 0.94 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.765 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -129.59 2.95 5.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.695 0.284 . . . . 0.0 110.967 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -94.56 130.9 40.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 111.003 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . 0.416 ' O ' HG23 ' B' ' 41' ' ' VAL . 52.0 tt0 -102.21 109.14 20.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.849 -178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.624 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 72.6 m-85 -92.44 151.91 19.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.274 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -125.6 148.05 49.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.484 173.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . 0.522 ' HD2' ' HB2' ' B' ' 38' ' ' GLU . 55.3 ttt180 -163.61 156.82 18.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.649 -177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . 0.503 ' HA ' HG11 ' B' ' 68' ' ' VAL . 63.4 mt -58.34 131.69 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.56 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.102 -173.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.86 156.79 21.29 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.395 -0.907 . . . . 0.0 113.255 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -58.14 -34.02 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.998 0.519 . . . . 0.0 110.578 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.78 -50.64 65.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.484 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' B' ' 67' ' ' LEU . 60.1 t -69.55 -41.68 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.941 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . 0.49 ' HB1' HG23 ' B' ' 81' ' ' ILE . . . -60.9 -46.29 91.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.968 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -71.63 -29.01 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.044 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 tt -69.37 -47.42 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.43 -35.67 81.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.055 0.455 . . . . 0.0 110.16 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.474 ' O ' HG22 ' B' ' 95' ' ' VAL . . . -67.04 -44.45 80.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . 0.458 ' O ' HG22 ' B' ' 96' ' ' VAL . 9.1 tt -60.7 -49.24 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.66 -30.85 51.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 110.707 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.91 -41.09 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.474 HG22 ' O ' ' B' ' 91' ' ' ALA . 90.3 t -62.28 -40.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.343 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . 0.628 HG23 ' HB2' ' A' ' 85' ' ' ASP . 98.6 t -55.47 -46.53 78.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.733 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.26 77.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.042 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.92 -34.96 78.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -76.65 -49.89 15.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.311 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -79.61 -19.16 49.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.481 HD13 ' HG2' ' A' ' 14' ' ' GLN . 27.3 mt -107.27 81.73 1.58 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 174.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -148.27 -73.69 0.19 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.949 0.404 . . . . 0.0 111.558 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.93 65.28 7.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -169.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -169.8 120.13 0.65 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.445 167.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -86.03 88.07 7.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.512 0.672 . . . . 0.0 111.127 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -140.69 100.7 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.786 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -107.97 -22.21 12.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.245 0.826 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.909 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.94 150.53 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.912 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.15 156.61 17.82 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.059 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -86.77 15.06 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.062 0.458 . . . . 0.0 110.813 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 6' ' ' ASP . 2.8 p -67.84 146.38 53.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.145 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 5' ' ' SER . 26.6 t70 76.31 -32.12 0.2 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.45 0.7 . . . . 0.0 111.524 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.8 ttm180 -58.58 -38.13 77.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -62.0 -44.58 96.43 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.003 0.43 . . . . 0.0 110.09 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.29 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.151 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . . . -72.97 -21.48 60.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.248 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 92.6 mt -73.77 -47.34 39.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.002 0.429 . . . . 0.0 109.983 177.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -66.82 -33.22 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.559 0.695 . . . . 0.0 109.589 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' HB3' ' HA ' ' A' ' 10' ' ' ALA . 7.3 t70 -64.72 -38.92 92.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.475 173.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -67.09 -49.07 66.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.998 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG12 HG23 ' B' ' 93' ' ' VAL . 33.7 m -67.24 -27.07 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.355 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -61.67 -42.2 98.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.496 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.5 HG13 HD13 ' A' ' 67' ' ' LEU . 60.5 t -66.35 -50.42 67.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.404 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.92 -31.06 79.55 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.598 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.54 -44.27 87.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.623 0.249 . . . . 0.0 110.842 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -26.58 63.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.244 0.545 . . . . 0.0 110.413 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 tp -74.36 -31.02 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.761 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.01 16.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -169.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.56 -34.32 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.033 0.444 . . . . 0.0 110.008 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -65.56 2.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.378 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -68.34 -22.88 64.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.172 0.486 . . . . 0.0 111.24 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HB3' HD21 ' A' ' 62' ' ' LEU . 98.9 mtt180 -71.78 -20.58 61.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.122 0.487 . . . . 0.0 110.016 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -80.48 -25.02 39.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.555 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -65.26 -33.23 75.49 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.224 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 62.0 mt -65.06 -44.36 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.086 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 67' ' ' LEU . 91.8 mt -63.29 -41.38 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 177.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.7 -37.56 71.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.629 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.517 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 51.8 tp -77.1 -44.87 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.26 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 75.4 mt -73.88 -3.23 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.712 0.291 . . . . 0.0 111.677 -175.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.23 65.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.331 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 10.7 pt20 -84.24 -16.67 42.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -175.29 23.89 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.49 131.24 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.346 0.573 . . . . 0.0 110.366 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -115.16 147.87 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.21 150.7 47.76 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.2 t -52.6 -40.64 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' HD12 ' A' ' 52' ' ' LEU . 4.0 tm-20 -59.35 -44.03 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.455 177.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.87 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.063 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.94 -49.58 78.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.018 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.06 62.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.147 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 m -61.98 -46.06 90.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.5 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.38 66.53 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.0 p -95.63 -11.31 27.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.366 . . . . 0.0 111.449 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.44 35.27 29.84 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.158 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -125.32 158.27 34.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.1 159.47 30.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.874 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mm? -56.16 -42.06 76.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 p -67.56 -47.17 70.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.014 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 m -61.72 -48.37 81.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.967 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.53 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.087 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.5 m -59.79 -38.21 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.692 0.282 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.54 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 58' ' ' ASN . 1.0 OUTLIER -79.89 -37.32 35.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.675 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.85 -46.57 87.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.284 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.68 -32.41 74.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.35 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.393 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 27' ' ' ARG . 80.5 mt -65.97 -33.33 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -69.99 -34.4 73.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.839 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.5 m -69.97 -26.04 63.91 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.116 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.49 -16.34 73.84 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.831 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 21.42 49.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.439 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.5 HD13 HG13 ' A' ' 18' ' ' VAL . 9.5 mp -91.52 -33.52 15.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.62 152.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 0.0 111.525 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.674 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 1.8 tm-20 -124.47 177.34 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.384 176.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.23 113.54 18.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 111.523 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -109.22 109.0 19.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.724 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.5 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -90.98 139.37 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.041 0.448 . . . . 0.0 111.045 -176.856 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -135.29 115.65 13.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.399 -0.818 . . . . 0.0 108.96 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.82 -112.51 4.13 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.515 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -113.3 -4.94 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.167 0.508 . . . . 0.0 110.512 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -100.87 146.48 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 7.9 tt0 -113.15 123.6 50.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.059 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 27.7 m-85 -103.66 136.85 42.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.156 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -107.15 140.63 39.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.038 0.447 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -152.92 161.46 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -46.48 130.55 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 O-C-N 123.463 0.477 . . . . 0.0 110.406 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -56.21 -36.07 68.01 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.58 0.55 . . . . 0.0 112.392 -171.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -164.34 169.78 39.28 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.084 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.88 -23.33 67.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.849 0.356 . . . . 0.0 110.308 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -57.45 8.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.136 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.4 t -70.14 -35.74 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.6 77.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -71.09 -30.8 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.49 -49.82 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.72 -36.82 84.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.475 ' O ' HG21 ' A' ' 95' ' ' VAL . . . -65.47 -46.1 81.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.603 176.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.469 ' O ' HG21 ' A' ' 96' ' ' VAL . 48.9 tp -63.02 -48.91 76.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.373 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.72 -28.75 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.624 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.55 -43.16 90.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 91' ' ' ALA . 74.7 t -59.07 -41.81 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.619 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 92' ' ' LEU . 61.8 t -53.63 -48.27 59.96 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.058 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.15 -47.75 33.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.49 -61.78 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.521 -172.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -75.37 -22.6 57.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -171.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -85.58 -33.94 21.57 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.793 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.459 HD22 ' HG2' ' B' ' 14' ' ' GLN . 3.5 mm? -66.75 -48.09 70.18 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.192 -0.203 . . . . 0.0 111.451 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.74 14.55 5.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.961 0.41 . . . . 0.0 111.52 -177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -80.81 -3.28 50.53 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 174.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -161.32 148.73 15.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.44 -1.254 . . . . 0.0 108.019 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -103.71 -67.64 0.88 Allowed 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.151 -0.619 . . . . 0.0 111.728 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -133.67 152.7 51.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.858 0.361 . . . . 0.0 110.528 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -95.0 153.11 17.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.7 t60 . . . . . 0 C--N 1.315 -0.893 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 176.082 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.2 131.08 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.596 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.61 -115.02 0.58 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.595 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 66.89 93.37 0.07 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.18 0.592 . . . . 0.0 111.896 -175.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.4 p -89.18 1.13 56.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.742 0.782 . . . . 0.0 109.743 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -91.79 12.45 21.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.351 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -60.06 -48.42 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.671 -173.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -63.13 -27.79 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.25 75.98 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -33.24 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.412 ' O ' HG22 ' B' ' 15' ' ' VAL . 4.0 mm? -74.7 -39.48 61.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.384 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.24 -37.02 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.16 -36.91 84.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.143 0.497 . . . . 0.0 110.168 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . 0.613 HE22 ' HD2' ' B' ' 17' ' ' ARG . 26.0 tp60 -67.21 -39.29 86.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.565 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.412 HG22 ' O ' ' B' ' 11' ' ' LEU . 68.8 t -66.89 -38.57 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.206 0.527 . . . . 0.0 109.947 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.66 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.779 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . 0.613 ' HD2' HE22 ' B' ' 14' ' ' GLN . 20.4 ttm-85 -60.6 -51.9 67.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.451 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.41 -31.44 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.58 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.96 87.02 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.581 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -63.49 -45.93 88.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.592 0.234 . . . . 0.0 110.647 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.05 -31.43 72.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -73.31 -26.85 61.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.16 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.38 64.85 5.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . 0.521 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 41.8 t30 -173.71 110.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 171.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . 0.522 ' O ' ' HG3' ' B' ' 29' ' ' GLN . . . -54.66 -35.9 58.19 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.647 -176.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' B' ' 26' ' ' ARG . 0.2 OUTLIER -59.51 -37.88 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.938 0.369 . . . . 0.0 111.711 -178.331 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.525 ' HG2' ' OD1' ' B' ' 58' ' ' ASN . 22.3 mtm180 -81.36 -23.65 37.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.499 . . . . 0.0 110.041 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 81.1 mt -75.35 -22.73 57.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.656 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' B' ' 25' ' ' GLY . 27.2 mt-30 -62.39 -28.65 69.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.48 . . . . 0.0 110.543 176.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.436 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.5 mt -71.8 -46.89 59.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.905 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.88 -33.8 76.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.309 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.05 -43.38 91.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.199 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 60.2 tp -70.22 -41.12 74.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.963 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 84.8 mt -66.39 -25.55 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.217 -178.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.33 62.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.539 . . . . 0.0 110.377 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -103.49 8.63 37.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.913 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.58 150.28 6.8 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.62 146.13 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.519 ' HG3' ' HB3' ' B' ' 43' ' ' ALA . 0.0 OUTLIER -143.38 158.41 43.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.45 -170.159 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.56 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -88.64 161.81 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.01 -48.34 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.463 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.25 -46.28 88.92 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.757 0.313 . . . . 0.0 110.973 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . 0.519 ' HB3' ' HG3' ' B' ' 39' ' ' ARG . . . -68.29 -38.53 81.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.0 mt -61.91 -49.71 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.97 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.957 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -63.33 -43.02 98.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.644 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.09 74.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.511 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 27.0 p -89.07 -7.92 54.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.386 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.18 35.56 60.61 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.014 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.4 mtm -122.01 169.46 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -85.61 154.42 21.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.033 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.51 -53.89 48.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -66.13 -26.81 67.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.239 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 35.6 m -74.59 -36.88 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.008 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.69 85.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.4 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 34.6 p -65.62 -32.92 74.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.48 96.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.069 0.461 . . . . 0.0 110.79 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.525 ' OD1' ' HG2' ' B' ' 27' ' ' ARG . 37.5 m-80 -68.16 -38.85 82.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.77 -36.23 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.617 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -59.75 -42.59 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.779 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.602 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.53 -33.81 69.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' B' ' 69' ' ' GLU . 23.6 tptp -68.22 -48.06 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.969 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 17.8 p -69.45 -27.56 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.283 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.21 -30.5 64.99 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.919 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 30.08 7.82 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.743 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -95.97 -30.47 13.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.541 0.21 . . . . 0.0 111.429 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' VAL . . . . . 0.424 ' O ' ' HD2' ' B' ' 63' ' ' LYS . 27.5 m -134.99 162.9 37.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLU . . . . . 0.569 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 80.6 mm-40 -123.13 173.16 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.404 173.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.86 147.79 52.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.923 0.392 . . . . 0.0 111.362 -176.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -129.57 130.15 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -91.95 112.97 25.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.673 0.273 . . . . 0.0 110.279 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -127.67 110.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.472 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.68 4.34 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.798 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 m -104.06 -16.81 15.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.459 0.647 . . . . 0.0 110.291 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -108.19 152.18 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.177 -171.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -111.76 124.91 53.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.576 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' TYR . . . . . 0.56 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 35.9 m-85 -98.22 150.9 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.429 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -125.51 142.69 51.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -147.33 167.94 23.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.161 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.25 139.67 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 123.201 0.313 . . . . 0.0 110.171 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.569 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -62.68 -27.41 69.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -172.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.34 174.13 44.34 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.53 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 24.7 tp10 -65.65 -36.82 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 110.734 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ASP . . . . . 0.423 ' CB ' HG22 ' A' ' 96' ' ' VAL . 1.1 m-20 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.234 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.56 -36.46 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.81 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.355 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 21.9 mmm180 -65.45 -37.88 88.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.243 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.06 -52.24 66.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.35 -38.8 90.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . 0.457 ' O ' HG21 ' B' ' 95' ' ' VAL . . . -68.09 -46.3 71.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.41 -48.82 73.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . 0.513 HG23 HG12 ' A' ' 15' ' ' VAL . 8.0 p -65.02 -29.36 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 110.628 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -67.41 -40.6 85.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.184 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.457 HG21 ' O ' ' B' ' 91' ' ' ALA . 84.6 t -62.89 -44.92 99.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.17 176.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.43 -43.66 83.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.83 42.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.97 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.81 -47.0 77.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.745 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLU . . . . . 0.527 ' O ' ' HD2' ' B' ' 103' ' ' HIS . 50.9 mm-40 -63.11 -61.02 2.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.001 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -76.06 -5.11 44.96 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -168.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 63.9 tp -87.32 -27.2 23.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.044 0.45 . . . . 0.0 109.908 173.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -86.23 -45.14 11.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.681 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . 0.527 ' HD2' ' O ' ' B' ' 99' ' ' GLU . 57.7 m-70 -56.12 132.22 49.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.189 0.518 . . . . 0.0 112.117 -171.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 80.15 -35.9 0.14 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.862 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 54.07 -1.38 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 170.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -148.6 145.72 27.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 118.597 0.635 . . . . 0.0 111.019 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -123.59 135.65 54.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.445 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 12.6 p80 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.311 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.91 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.167 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.8 -30.37 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.59 -25.22 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.0 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.9 tt -73.17 -43.79 60.91 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' B' ' 28' ' ' LEU . 86.0 mt -65.05 -32.98 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.255 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -57.64 -43.98 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.451 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.74 -39.36 80.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 11' ' ' LEU . 95.1 t -63.26 -44.78 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.38 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.34 -32.18 73.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.97 -50.46 68.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.478 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -67.36 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.528 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.32 94.74 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.04 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 93.3 mttt -61.54 -35.9 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.387 . . . . 0.0 111.031 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' HD23 ' A' ' 62' ' ' LEU . . . -69.89 -42.86 72.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.758 HD21 HG12 ' B' ' 15' ' ' VAL . 10.4 tt -73.96 -36.08 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.291 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 93.46 0.91 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.06 0.457 . . . . 0.0 111.135 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -170.48 -41.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.027 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.94 -58.73 2.45 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.537 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -68.96 -35.41 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.848 0.356 . . . . 0.0 110.758 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 58' ' ' ASN . 24.8 mtm180 -72.19 -12.11 61.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.353 . . . . 0.0 110.903 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.696 HD21 ' HG ' ' A' ' 22' ' ' LEU . 93.9 mt -76.63 -22.16 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.028 0.442 . . . . 0.0 109.813 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.38 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.18 -49.35 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.188 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.572 HD11 HD23 ' A' ' 67' ' ' LEU . 94.9 mt -60.57 -43.51 97.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 12.8 t70 -62.24 -38.38 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.72 -35.14 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD21 HD11 ' A' ' 44' ' ' ILE . 65.5 mt -76.17 -25.94 55.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.288 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -16.45 64.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.278 0.561 . . . . 0.0 110.325 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' HH21 ' A' ' 39' ' ' ARG . 64.9 mt-30 -96.58 4.18 52.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.014 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.3 143.86 4.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.188 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 7.3 pt-20 -72.38 137.01 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.695 0.283 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.434 HH21 ' HB2' ' A' ' 36' ' ' GLN . 58.9 mtt-85 -140.23 157.43 45.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 111.112 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -77.46 159.42 29.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.91 -47.09 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -56.93 -41.05 77.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.816 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -47.59 58.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.354 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.467 HD11 HD21 ' A' ' 34' ' ' LEU . 75.5 mt -60.36 -49.51 83.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.943 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.65 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.306 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.8 m -62.92 -39.32 94.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.393 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.07 83.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.431 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -90.63 -6.64 54.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.986 0.422 . . . . 0.0 111.327 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.48 31.66 45.07 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.654 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.4 mtm -117.02 155.07 29.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -74.17 139.08 44.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.236 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.52 -41.1 72.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.181 0.301 . . . . 0.0 111.655 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 m -60.02 -47.81 84.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 m -68.72 -36.0 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.57 75.45 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 18.9 t -56.88 -38.5 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.166 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.85 -51.02 71.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.85 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.469 ' HB2' ' CD ' ' A' ' 27' ' ' ARG . 32.8 p30 -81.39 -21.06 39.25 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.701 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.59 -39.65 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 56' ' ' SER . 74.7 mt-30 -65.26 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.391 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.505 HD23 ' HB1' ' A' ' 21' ' ' ALA . 89.0 mt -71.54 -32.99 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -68.25 -46.39 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.488 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 p -65.92 -29.76 70.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.73 -32.17 77.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.752 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.28 15.39 17.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 31' ' ' LEU . 8.4 mp -86.7 -49.07 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.709 0.29 . . . . 0.0 111.473 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.76 156.42 33.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.155 0.503 . . . . 0.0 111.506 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -130.29 170.44 14.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.407 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.76 142.77 51.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.892 0.377 . . . . 0.0 111.252 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -124.74 140.07 53.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.395 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.88 109.77 21.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.093 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.609 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 34.2 tt0 -109.05 102.68 11.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.16 -106.99 2.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.787 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -122.93 6.94 9.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.176 0.512 . . . . 0.0 110.914 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -104.18 143.3 33.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -101.74 106.33 17.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.785 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 75.0 m-85 -93.39 131.08 38.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.949 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -101.2 139.87 36.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.254 0.549 . . . . 0.0 110.618 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 28.2 ttt-85 -141.71 152.8 44.18 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.8 134.75 23.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.92 51.57 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.382 0.426 . . . . 0.0 111.706 -173.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.77 170.75 36.01 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.85 -18.92 65.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.209 0.504 . . . . 0.0 110.463 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.87 -55.4 27.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.999 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 67' ' ' LEU . 45.1 t -72.43 -36.21 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.593 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.246 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -69.15 -29.42 67.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.394 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.51 -44.6 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -66.19 -38.38 87.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.523 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.26 96.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.119 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.729 HD22 HD13 ' B' ' 89' ' ' LEU . 7.1 tt -61.6 -52.08 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.711 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.452 ' HA ' HG12 ' A' ' 96' ' ' VAL . 34.6 m -63.1 -31.51 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -67.66 -49.94 60.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.339 . . . . 0.0 110.222 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.31 -46.31 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.819 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 93' ' ' VAL . 10.0 p -64.34 -33.6 63.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.41 -42.21 54.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.795 0.331 . . . . 0.0 110.259 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.04 -53.02 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.754 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.411 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 pttt . . . . . 0 N--CA 1.46 0.061 0 CA-C-O 120.64 0.257 . . . . 0.0 111.445 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.28 91.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.276 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.51 -32.16 72.18 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 110.919 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 15' ' ' VAL . 3.3 tm? -66.92 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.19 -30.53 67.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.065 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.7 -43.66 98.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.296 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -62.8 -40.22 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.701 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.758 HG12 HD21 ' A' ' 22' ' ' LEU . 81.4 t -66.35 -41.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.693 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -62.92 -32.12 73.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.023 0.44 . . . . 0.0 110.846 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -63.99 -49.65 71.64 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.682 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.476 HG12 ' O ' ' B' ' 65' ' ' GLY . 16.9 m -68.7 -27.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.886 0.374 . . . . 0.0 110.066 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -40.47 96.05 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.891 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 97.0 mttt -62.36 -40.64 97.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.91 0.386 . . . . 0.0 110.463 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -34.12 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.539 ' HA ' HD21 ' B' ' 28' ' ' LEU . 96.9 mt -85.01 -6.84 59.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.91 13.39 18.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.971 0.415 . . . . 0.0 111.204 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.509 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 29.7 m-80 -118.01 102.08 8.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.89 -40.41 93.1 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.698 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.11 -28.13 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.918 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.564 ' HB3' HD21 ' B' ' 62' ' ' LEU . 3.0 mtm180 -92.42 -20.75 20.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' B' ' 22' ' ' LEU . 76.9 mt -68.14 -35.17 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.346 176.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.96 -35.48 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 109.977 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.15 -38.24 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.407 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.76 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.64 -28.87 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.282 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -78.75 -43.36 25.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.879 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.67 -15.26 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.476 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.4 44.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.47 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -97.88 -8.18 28.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.51 165.45 12.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.056 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.743 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 0.0 OUTLIER -82.32 132.89 35.22 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.228 0.537 . . . . 0.0 110.211 178.307 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -141.07 150.21 42.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.136 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -73.02 155.96 39.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.029 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.31 -42.31 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.793 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -59.61 -44.68 93.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.664 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.42 88.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.89 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.71 -47.74 89.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -60.35 -51.72 68.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.163 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -61.06 -45.22 95.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.361 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.16 81.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.671 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -86.85 -18.5 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.807 0.336 . . . . 0.0 111.368 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.12 19.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.951 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.4 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 76.9 mtm -123.88 156.55 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 110.683 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -66.19 145.77 55.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.96 -42.65 94.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -64.21 -44.42 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.9 m -66.8 -40.75 88.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.82 96.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.568 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 55.9 m -57.74 -41.13 81.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.531 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.551 ' HA ' HH11 ' B' ' 27' ' ' ARG . 84.9 m-20 -59.28 -46.53 88.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.897 177.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.545 HD13 ' CD1' ' B' ' 79' ' ' TYR . 83.1 mt -64.96 -42.85 94.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.165 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.41 -41.15 93.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.767 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.05 91.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' B' ' 27' ' ' ARG . 94.5 mt -63.87 -39.98 95.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.544 . . . . 0.0 110.452 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.59 -35.27 78.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.13 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 38.9 m -69.48 -27.67 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.688 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.476 ' O ' HG12 ' B' ' 18' ' ' VAL . . . -80.64 -18.6 70.25 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.06 176.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.12 19.8 32.39 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.18 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.45 ' HA ' HG11 ' B' ' 86' ' ' VAL . 4.5 mm? -83.32 -46.5 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.676 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.18 159.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.68 159.84 25.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.404 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.3 109.22 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.909 0.385 . . . . 0.0 110.615 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -108.58 104.37 13.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -100.08 128.8 46.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.69 -172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.59 127.38 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.789 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.97 -115.45 6.53 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.191 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 p -115.8 11.66 15.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.992 0.425 . . . . 0.0 111.106 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ARG . . . . . 0.491 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 52.1 mtt180 -114.15 143.56 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.886 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 28.9 tt0 -108.63 104.06 13.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.491 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 58.3 m-85 -91.4 133.41 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.545 ' CD1' HD13 ' B' ' 59' ' ' LEU . 51.5 m-85 -104.59 143.16 33.43 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.036 0.445 . . . . 0.0 110.004 174.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.743 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 13.3 ttt180 -152.6 154.2 34.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.924 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.36 131.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.15 -44.73 52.67 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.51 0.506 . . . . 0.0 112.013 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.78 164.74 33.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.795 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 12.9 pt-20 -58.47 -32.95 69.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 110.56 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ASP . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 88' ' ' ARG . 2.7 m-20 -59.52 -44.08 93.27 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.953 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' B' ' 67' ' ' LEU . 40.2 t -69.4 -38.74 77.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.965 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.12 95.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 41.0 mtm-85 -66.83 -30.51 70.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.687 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.729 HD13 HD22 ' A' ' 92' ' ' LEU . 65.9 tp -67.49 -50.3 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.516 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.99 -38.73 92.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.313 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.466 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.58 -44.41 94.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.473 176.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.466 ' O ' HG23 ' B' ' 96' ' ' VAL . 57.4 tp -60.08 -52.68 64.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.708 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.78 -30.9 51.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.957 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.81 -42.53 81.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.919 0.39 . . . . 0.0 109.965 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 91' ' ' ALA . 70.4 t -65.6 -44.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.532 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 92' ' ' LEU . 97.2 t -60.49 -44.6 96.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.658 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.17 -54.41 46.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.518 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.23 -37.21 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.629 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -25.75 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.214 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 43.9 m80 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.914 -179.209 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 7' ' ' ARG . 13.8 mmt180 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -55.68 -45.43 77.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.292 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.03 82.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.99 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 15' ' ' VAL . 57.5 tp -76.09 -50.97 13.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.42 -35.06 79.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.42 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.238 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.55 -41.92 75.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.169 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 HD21 ' B' ' 22' ' ' LEU . 63.0 t -62.24 -42.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.078 176.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -67.28 -27.34 67.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.17 -51.79 58.97 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.38 -40.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.639 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.16 -39.12 94.07 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.854 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 60.1 mttp -64.92 -33.36 75.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.966 0.383 . . . . 0.0 110.511 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' HA3' ' A' ' 65' ' ' GLY . . . -74.71 -19.36 60.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.03 -30.3 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.043 0.449 . . . . 0.0 110.444 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 73.6 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -139.5 -164.11 1.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.492 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.1 -116.22 2.96 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.153 -1.023 . . . . 0.0 112.311 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' A' ' 26' ' ' ARG . 8.8 ptt180 -69.46 -3.53 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.49 -34.09 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.185 0.517 . . . . 0.0 110.546 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 HG23 ' B' ' 15' ' ' VAL . 67.6 mt -70.31 -16.0 62.95 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.547 -174.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.04 -32.39 73.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 0.0 109.659 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.43 HG21 HD21 ' A' ' 59' ' ' LEU . 59.7 mt -69.51 -39.45 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.659 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.94 -47.62 85.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.33 -34.49 78.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.59 -39.04 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.643 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.3 -13.92 59.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -27.11 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.61 -25.49 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.993 0.425 . . . . 0.0 110.779 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.27 179.62 35.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.67 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -74.03 145.11 44.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.881 0.372 . . . . 0.0 110.69 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -141.71 145.09 34.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -80.88 150.27 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 56' ' ' SER . 70.4 t -53.85 -42.33 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 111.332 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 tm-20 -57.6 -45.44 85.31 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.279 0.562 . . . . 0.0 110.335 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.14 -43.14 68.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ALA . 78.5 mt -58.24 -50.49 78.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.79 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.98 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.173 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.7 m -60.6 -49.71 76.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.45 86.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.934 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.8 p -83.82 -18.8 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.652 0.263 . . . . 0.0 111.516 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.06 33.31 12.28 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.487 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.8 mtm -124.79 169.52 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -80.02 159.43 26.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.031 0.443 . . . . 0.0 111.516 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 86.6 mt -60.26 -52.36 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.015 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -40.72 78.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.941 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -63.09 -48.13 79.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.756 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.45 90.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.101 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' HG11 ' A' ' 41' ' ' VAL . 10.5 p -63.35 -36.42 83.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.33 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.0 76.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.728 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 94.9 m-20 -60.77 -42.91 98.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.148 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -64.99 -38.77 92.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.688 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -67.44 -31.27 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.802 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.53 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 78.4 mt -62.74 -36.93 84.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.682 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.08 -41.76 94.72 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.84 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -68.78 -20.83 64.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.658 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . -87.8 -7.11 75.27 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.276 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.43 11.54 62.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.914 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.536 ' HA ' HG11 ' A' ' 86' ' ' VAL . 4.4 mm? -77.09 -50.73 12.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 81' ' ' ILE . 27.8 m -134.09 162.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.336 -174.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -119.09 158.44 25.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.971 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.82 116.05 30.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.775 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -99.65 104.38 16.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.606 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -100.73 107.82 19.52 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -125.08 107.7 11.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.222 0.534 . . . . 0.0 110.149 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.16 -121.36 7.57 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.301 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -103.57 -4.59 23.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.405 0.621 . . . . 0.0 109.941 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 10.5 mmp_? -101.57 138.94 37.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.676 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.178 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 63.4 m-85 -101.29 146.6 27.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' HD13 ' A' ' 59' ' ' LEU . 22.7 m-85 -120.89 139.0 53.82 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.185 0.517 . . . . 0.0 110.94 175.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HD3' ' HB3' ' A' ' 38' ' ' GLU . 13.6 tpt180 -135.55 149.15 49.36 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.645 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.469 ' HA ' HG12 ' A' ' 68' ' ' VAL . 41.8 mm -54.44 127.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.79 -52.72 55.62 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.686 0.616 . . . . 0.0 111.526 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.6 157.64 25.8 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.444 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.29 -16.1 63.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.82 -50.49 70.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 170.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 67' ' ' LEU . 39.6 t -72.09 -34.08 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.478 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.12 92.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.11 -35.65 81.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.0 tt -60.76 -63.28 1.35 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.862 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.56 -37.54 87.71 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.485 0.183 . . . . 0.0 111.007 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -59.81 -48.73 80.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.317 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.1 tp -58.97 -49.2 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.385 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.777 HG12 HG12 ' B' ' 15' ' ' VAL . 93.1 t -54.97 -44.33 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' HG2' HD23 ' B' ' 11' ' ' LEU . 10.3 tt0 -69.88 -41.55 74.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.372 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' ALA . 80.4 t -65.86 -47.18 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.018 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.02 -39.23 77.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.994 0.426 . . . . 0.0 110.398 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' B' ' 14' ' ' GLN . . . -61.94 -44.99 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.841 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.73 ' HB2' HD21 ' B' ' 11' ' ' LEU . 16.2 t70 -62.06 -53.34 56.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.328 -0.362 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -172.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.667 ' HA ' ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.54 72.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.374 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -82.68 -23.57 34.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.457 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 98' ' ' ASP . 7.0 mp -65.18 -37.77 88.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.34 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' B' ' 15' ' ' VAL . 98.7 mt -66.31 -25.04 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.776 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -76.34 -37.63 57.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.31 0.576 . . . . 0.0 109.61 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 14.0 mm100 -66.08 -49.98 65.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.811 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.777 HG12 HG12 ' A' ' 93' ' ' VAL . 28.9 m -67.07 -30.42 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 20' ' ' LYS . . . -66.08 -36.27 82.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.037 0.446 . . . . 0.0 110.417 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' B' ' 64' ' ' SER . 7.5 ttp180 -71.9 -48.14 47.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.499 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' B' ' 15' ' ' VAL . 32.7 m -67.69 -35.71 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.077 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.52 -30.63 64.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.684 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' B' ' 16' ' ' ALA . 31.2 ttmt -65.8 -33.1 75.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.169 0.509 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.612 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -78.47 -38.06 41.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.882 ' HG ' HD21 ' B' ' 28' ' ' LEU . 7.8 tt -78.51 -13.12 59.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.582 -174.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.48 8.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.431 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 34.3 m-80 -122.55 122.11 38.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.722 0.296 . . . . 0.0 111.218 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -40.29 98.59 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.698 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -69.36 -14.02 62.69 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.615 -0.344 . . . . 0.0 111.417 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 97.4 mtt180 -93.17 -26.64 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.027 0.441 . . . . 0.0 110.029 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.882 HD21 ' HG ' ' B' ' 22' ' ' LEU . 96.0 mt -72.74 -31.07 64.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.57 -32.6 70.51 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 174.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 65.5 mt -66.31 -47.83 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.146 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.62 -41.85 98.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.37 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.868 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' HG3' ' B' ' 39' ' ' ARG . 55.1 tp -72.16 -39.4 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.845 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 79.1 mt -71.41 -26.11 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.4 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.417 0.627 . . . . 0.0 109.998 174.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -93.7 15.38 16.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.403 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.88 153.55 7.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.404 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.47 129.5 38.93 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' HG ' ' B' ' 33' ' ' LEU . 21.1 mmt180 -127.17 149.91 49.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -172.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.9 170.27 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.29 -55.06 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.451 0.47 . . . . 0.0 111.76 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.91 -40.48 84.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.74 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.18 -46.13 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.69 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.25 96.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.332 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.0 m -67.35 -46.04 74.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.3 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.745 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.512 ' HB ' ' HE2' ' B' ' 50' ' ' MET . 22.5 p -89.74 -11.76 41.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.654 0.264 . . . . 0.0 111.421 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.36 36.03 59.72 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.512 ' HE2' ' HB ' ' B' ' 48' ' ' THR . 71.0 mtm -125.51 170.62 11.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.585 0.231 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.74 160.25 28.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.902 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.61 -42.92 93.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -60.92 -48.18 83.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 177.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -59.62 -47.41 85.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.659 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -59.91 -44.74 94.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.391 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.231 0.539 . . . . 0.0 110.166 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.534 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 93.5 m-20 -68.23 -43.52 77.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.603 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 90.4 mt -59.83 -44.44 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.587 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -59.62 -46.32 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.298 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.13 92.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.612 HD23 ' HB1' ' B' ' 21' ' ' ALA . 98.7 mt -67.57 -32.71 73.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -76.43 -35.13 58.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.716 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' SER . . . . . 0.474 ' O ' ' HD2' ' B' ' 17' ' ' ARG . 32.1 m -67.27 -28.35 67.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.469 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -73.72 -25.97 70.66 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.492 174.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.36 23.01 25.4 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.079 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.471 ' HA ' HG11 ' B' ' 86' ' ' VAL . 7.3 mp -91.7 -32.81 15.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -176.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.26 152.52 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 111.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.39 163.9 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.732 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' B' ' 79' ' ' TYR . . . -136.99 163.35 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.093 0.473 . . . . 0.0 111.808 -175.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' B' ' 71' ' ' ARG . 9.4 ptp85 -128.73 151.3 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.635 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -96.07 117.04 29.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.74 0.305 . . . . 0.0 110.672 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -127.48 97.07 4.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.939 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.85 -125.12 10.95 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -174.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -90.91 -14.56 31.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.033 0.444 . . . . 0.0 110.548 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -94.52 158.61 15.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.669 0.747 . . . . 0.0 112.514 -174.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -131.75 127.65 37.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.398 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -105.84 126.97 52.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.31 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' B' ' 70' ' ' ALA . 55.2 m-85 -108.23 151.78 25.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.094 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -162.05 162.06 28.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.06 134.62 16.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.203 0.314 . . . . 0.0 110.446 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.62 -65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.712 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.31 149.53 18.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.012 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.1 OUTLIER -68.68 -27.03 65.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.732 0.301 . . . . 0.0 110.39 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ASP . . . . . 0.406 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 31.2 t70 -71.42 -31.54 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.216 0.532 . . . . 0.0 109.745 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' B' ' 67' ' ' LEU . 52.7 t -65.71 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 109.364 173.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.81 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.988 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 83.5 mtt-85 -65.46 -38.97 91.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.293 176.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 93' ' ' VAL . 7.2 tt -63.76 -47.92 79.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.103 178.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -63.1 -38.73 92.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.514 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.46 -43.05 95.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.368 177.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.49 -52.5 64.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.945 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.497 HG23 HD11 ' A' ' 89' ' ' LEU . 10.6 p -62.73 -32.89 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.873 0.368 . . . . 0.0 111.012 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -69.34 -41.18 76.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 83.9 t -63.41 -44.17 98.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.435 177.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.55 -46.12 90.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.528 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.87 86.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.145 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.75 -48.65 76.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.541 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.416 -175.003 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.624 0.25 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -62.3 -29.43 70.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.66 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.722 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.23 -27.33 63.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.25 0.548 . . . . 0.0 110.574 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.1 mp -68.9 -30.82 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.643 176.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.99 -32.75 73.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.124 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -64.67 -38.26 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.038 0.446 . . . . 0.0 110.274 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HB3' ' HB1' ' B' ' 97' ' ' ALA . 5.0 tp-100 -69.61 -41.27 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.968 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' LEU . 53.2 t -57.22 -41.82 78.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.85 79.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.391 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HD2' ' OE1' ' A' ' 14' ' ' GLN . 72.4 mtt85 -68.38 -32.2 72.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 62.0 t -66.99 -50.61 62.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.15 94.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.381 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.77 -40.44 95.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 0.0 110.316 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . -68.1 -28.78 67.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.792 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD21 HD21 ' A' ' 67' ' ' LEU . 74.5 mt -90.2 2.84 54.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.51 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.39 14.09 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -137.62 124.15 20.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.678 0.275 . . . . 0.0 110.709 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.06 -39.61 97.38 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.412 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.19 -24.58 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 111.037 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 21' ' ' ALA . 37.6 ttm180 -80.37 -28.91 37.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.001 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.47 -22.34 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.265 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.63 -30.94 71.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.13 175.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 43.9 mm -63.96 -45.44 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.98 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.65 -38.63 91.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 17.2 t70 -62.84 -39.52 94.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 44' ' ' ILE . 10.1 tt -71.28 -41.32 70.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 80.1 mt -69.14 -21.67 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.79 -13.53 60.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.179 0.514 . . . . 0.0 110.376 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 55.5 mt-30 -92.61 -3.97 54.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.31 155.42 7.74 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.493 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.472 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 9.9 pt-20 -72.26 147.63 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -151.55 153.32 34.31 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.304 -170.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 155.57 39.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.25 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.6 t -50.31 -55.68 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.437 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.509 ' HG2' HD21 ' A' ' 52' ' ' LEU . 52.7 mt-10 -61.95 -35.85 79.68 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 111.151 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . . . -67.49 -43.71 80.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.473 HG23 HD13 ' A' ' 33' ' ' LEU . 76.9 mt -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.244 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.32 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.07 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -59.34 -46.54 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.79 95.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.644 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.6 p -79.39 -20.12 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.65 15.88 55.91 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.233 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtm -105.44 168.47 9.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.592 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -84.44 167.25 16.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 42' ' ' GLU . 10.5 mp -64.08 -38.47 91.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.432 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 p -59.8 -46.93 87.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.172 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.6 m -64.62 -46.01 84.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.786 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -62.15 -52.2 64.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.584 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.548 ' HA ' HD12 ' A' ' 59' ' ' LEU . 19.3 p -62.09 -36.4 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.777 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.63 -46.15 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.019 0.437 . . . . 0.0 110.699 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' HB3' ' HG3' ' A' ' 27' ' ' ARG . 89.9 m-20 -64.3 -36.77 85.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.687 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.1 mt -63.06 -49.5 74.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.949 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.04 -35.35 80.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.02 76.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.071 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.77 -33.08 74.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.972 0.415 . . . . 0.0 110.693 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -67.26 -41.52 85.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.755 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.54 -21.8 74.71 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.905 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.41 26.87 12.69 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.427 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD21 HD21 ' A' ' 22' ' ' LEU . 11.2 mp -101.23 -47.34 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.707 0.289 . . . . 0.0 111.754 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 m -117.1 152.88 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.235 0.54 . . . . 0.0 111.811 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -122.59 163.84 19.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.911 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -120.56 142.43 49.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.175 0.512 . . . . 0.0 112.053 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 71' ' ' ARG . 24.3 mtp180 -100.33 143.06 30.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.234 171.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 29.9 mtp-105 -121.86 96.68 5.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.981 0.42 . . . . 0.0 110.305 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.0 103.34 13.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.61 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.88 -107.09 1.91 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.192 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -111.89 0.86 16.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.3 mtt85 -97.6 139.9 32.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 111.257 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.469 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 28.0 mt-30 -117.84 117.2 28.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.336 176.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.9 m-85 -101.61 146.47 27.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.78 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 59' ' ' LEU . 35.7 m-85 -113.61 143.33 44.75 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.561 177.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.472 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 19.3 ttt180 -142.39 150.05 40.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.745 -170.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 83' ' ' GLY . 59.2 mt -67.45 129.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.63 6.68 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -170.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 81' ' ' ILE . . . 161.76 158.57 9.55 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.83 177.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 12.9 pt-20 -68.59 -15.58 63.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.881 0.34 . . . . 0.0 110.495 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -47.53 86.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.124 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.448 HG13 ' HG ' ' A' ' 67' ' ' LEU . 96.0 t -66.08 -41.45 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 175.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.47 85.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.198 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 65.8 mtt180 -65.72 -34.39 78.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.81 -50.93 71.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.77 -41.9 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.601 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -64.98 -41.36 95.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.463 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.6 tt -63.95 -53.26 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.675 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.79 -31.02 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.65 -40.26 95.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.2 t -62.32 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.046 0.45 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.562 HG21 HD12 ' B' ' 89' ' ' LEU . 60.5 t -60.85 -25.5 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.142 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.96 -48.42 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.69 -47.68 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -171.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -169.124 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.7 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.303 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.13 76.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.972 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.89 -42.5 69.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.328 0.585 . . . . 0.0 109.628 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.74 -32.83 72.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.41 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -33.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.02 -43.79 74.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.831 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.27 -41.21 86.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 121.307 0.575 . . . . 0.0 110.073 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -58.88 -37.1 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.934 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.01 -42.73 99.47 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.12 -48.97 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.369 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.59 -30.52 77.6 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.298 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -65.57 -34.29 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.89 -17.78 32.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.81 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.96 -7.63 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.352 0.596 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' B' ' 24' ' ' ASN . . . -82.44 145.44 29.84 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' B' ' 23' ' ' ALA . 4.1 m-20 81.55 112.29 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.606 1.191 . . . . 0.0 110.773 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.96 -20.42 74.57 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.748 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -52.41 -42.99 64.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.97 0.385 . . . . 0.0 112.029 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 27' ' ' ARG . 6.0 ptt180 -90.99 -10.21 43.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 111.196 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.91 -25.8 59.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.76 -29.42 69.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.146 173.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 70.7 mt -68.94 -48.74 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.492 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.27 -37.88 78.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.212 0.529 . . . . 0.0 110.244 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.68 -40.49 95.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.13 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 56.4 tp -71.58 -39.2 70.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.732 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 56.8 mt -75.67 -12.8 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.83 -15.2 59.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.253 0.549 . . . . 0.0 110.071 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -98.97 4.84 47.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.274 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.53 172.65 13.14 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.524 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 10.4 pt-20 -85.37 139.2 31.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.895 0.378 . . . . 0.0 110.585 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -134.82 157.61 46.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.352 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -74.31 153.45 39.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.964 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.29 -43.9 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.405 ' HA ' HD13 ' B' ' 52' ' ' LEU . 3.1 mp0 -62.07 -38.33 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.713 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.29 86.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.198 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 40' ' ' ALA . 74.6 mt -61.53 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.491 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.05 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.255 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -72.09 -49.04 39.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -28.81 70.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.909 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -88.03 -23.68 23.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.666 0.27 . . . . 0.0 111.429 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.5 35.61 22.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.252 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.3 mtm -126.45 161.24 28.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.76 140.3 58.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.834 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 42' ' ' GLU . 61.5 tp -53.03 -52.86 57.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.01 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 18.2 m -63.64 -40.82 97.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -66.0 -39.92 90.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.151 0.5 . . . . 0.0 110.668 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 31.5 m -59.84 -41.08 90.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.25 95.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.761 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.24 -33.81 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.76 -34.41 77.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -70.02 -37.59 75.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.285 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -39.51 87.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.025 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.724 ' HA ' ' HA3' ' B' ' 66' ' ' GLY . 91.5 mt -75.82 -6.58 51.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' B' ' 63' ' ' LYS . 38.4 ttmt -80.12 -70.36 0.52 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 169.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -58.48 -33.1 69.41 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.62 22.75 2.99 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.704 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' B' ' 62' ' ' LEU . . . -121.63 -20.45 3.19 Favored Glycine 0 CA--C 1.507 -0.467 0 C-N-CA 119.743 -1.218 . . . . 0.0 111.502 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.556 ' HB2' HG11 ' B' ' 86' ' ' VAL . 6.4 mt 76.46 43.09 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.731 -0.734 . . . . 0.0 112.006 168.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.563 HG22 ' O ' ' B' ' 62' ' ' LEU . 27.5 m -119.06 162.25 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 172.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.554 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 53.3 mt-10 -115.08 163.78 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.1 136.12 54.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.221 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -127.2 122.6 34.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.387 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' B' ' 72' ' ' ARG . 51.9 mtt180 -97.29 108.63 21.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -111.58 87.26 2.51 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.24 -114.18 5.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.432 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.9 p -100.29 15.52 27.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.352 0.596 . . . . 0.0 110.703 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -107.83 127.72 53.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.641 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 14.9 mm-40 -107.86 104.05 13.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.939 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -97.1 139.82 32.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.15 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.474 ' O ' HD22 ' B' ' 34' ' ' LEU . 13.2 m-85 -122.83 147.06 46.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.186 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.524 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 10.8 ttm180 -159.44 161.49 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.498 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 59.8 mt -56.6 138.7 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 123.266 0.354 . . . . 0.0 110.194 176.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.554 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -62.77 -32.01 73.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.419 ' H ' HG22 ' B' ' 81' ' ' ILE . . . -172.58 175.14 45.74 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.166 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 14.5 pt-20 -68.18 -21.89 64.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.961 0.41 . . . . 0.0 110.256 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.83 -46.64 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.583 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.556 HG11 ' HB2' ' B' ' 67' ' ' LEU . 21.7 t -76.48 -35.66 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.633 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.9 83.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.777 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 45.9 mtt180 -65.42 -36.69 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.562 HD12 HG21 ' A' ' 96' ' ' VAL . 7.2 tt -59.32 -61.17 2.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.63 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.67 -36.34 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -62.22 -49.94 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.595 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.72 -44.16 93.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.393 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 89' ' ' LEU . 69.9 t -60.33 -40.66 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.025 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.1 -38.43 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 91' ' ' ALA . 98.6 t -57.06 -41.83 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.611 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.18 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.579 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 14' ' ' GLN . . . -67.42 -26.12 66.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.472 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.48 -61.51 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.932 -173.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 10.9 m170 . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.229 -178.43 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -71.18 -14.02 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.571 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.3 70.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.697 0.284 . . . . 0.0 110.761 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.07 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.482 . . . . 0.0 110.235 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 15' ' ' VAL . 87.8 mt -70.71 -35.97 73.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.769 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.59 -34.22 77.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.24 -38.24 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.06 -35.35 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.385 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 11' ' ' LEU . 61.5 t -64.39 -41.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB2' ' HA2' ' B' ' 25' ' ' GLY . . . -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.715 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.56 -51.63 68.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.22 -29.13 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.49 -35.68 87.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.08 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.7 mtpt -63.34 -40.26 96.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.447 . . . . 0.0 110.352 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.81 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.599 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' A' ' 67' ' ' LEU . 50.4 mt -88.85 26.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.789 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.53 2.96 6.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.673 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.908 ' HB2' ' HA ' ' B' ' 16' ' ' ALA . 28.7 m-80 60.93 -154.21 0.37 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.098 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.45 -160.08 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.2 mtm-85 -69.23 -13.3 62.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 111.368 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -73.47 -10.52 59.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 110.538 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 24' ' ' ASN . 73.3 mt -73.2 -16.69 61.41 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.448 ' HB2' HG22 ' A' ' 48' ' ' THR . 76.7 mt-30 -60.14 -31.9 70.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 65.1 mt -68.46 -50.95 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.282 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.41 -39.35 90.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.253 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.49 -41.91 98.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 110.162 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 37.5 tp -69.14 -29.65 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.0 mt -89.42 -6.32 56.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.96 0.409 . . . . 0.0 110.983 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.54 -25.19 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.3 pt20 -84.08 -17.97 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 -161.92 34.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.764 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -96.5 133.76 40.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' HD21 ' A' ' 33' ' ' LEU . 23.0 tpp180 -135.24 141.22 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.071 -174.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -76.32 155.47 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.65 -46.21 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.868 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' HD11 ' A' ' 52' ' ' LEU . 2.8 mp0 -57.97 -41.48 83.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.868 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -40.47 77.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.428 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG12 HD23 ' A' ' 33' ' ' LEU . 84.1 mt -59.97 -50.81 78.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.767 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.35 90.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.078 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 m -65.89 -48.66 70.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.674 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 29' ' ' GLN . 21.3 p -84.77 -20.33 31.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.976 0.417 . . . . 0.0 111.246 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.19 53.71 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.222 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.7 mtm -118.16 176.33 5.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.627 0.251 . . . . 0.0 110.391 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -84.89 162.16 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.508 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.0 mm? -57.31 -53.33 59.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.346 0.403 . . . . 0.0 110.598 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -60.62 -35.22 75.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.262 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 m -69.07 -40.26 78.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.268 0.556 . . . . 0.0 110.437 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.95 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.197 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 m -58.72 -31.47 68.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.61 86.07 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.445 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.3 m-80 -72.77 -35.53 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 90.7 mt -62.96 -42.1 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.243 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.97 71.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.414 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 76.5 mt -60.73 -39.8 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -74.89 -35.21 62.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.236 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.3 p -67.59 -20.58 65.39 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.838 0.351 . . . . 0.0 110.386 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -15.52 62.26 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.6 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.37 17.27 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.446 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.689 ' HA ' HG21 ' A' ' 86' ' ' VAL . 22.3 mt -93.99 -48.04 6.43 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.432 -178.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.76 159.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 111.583 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' HB2' ' A' ' 82' ' ' ALA . 46.2 mt-10 -105.36 153.64 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.277 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.3 109.49 16.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.762 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -111.64 104.82 13.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 42.7 ttp85 -81.68 133.0 35.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 0.0 110.471 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -124.35 103.32 8.14 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.62 -104.31 1.43 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.579 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.6 m -106.66 -22.14 12.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -105.34 158.13 16.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.126 0.489 . . . . 0.0 111.326 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 89.9 mt-30 -112.73 133.3 54.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.617 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -98.7 130.98 45.21 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 44.9 m-85 -111.5 149.0 31.96 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.044 0.449 . . . . 0.0 110.234 176.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -157.88 146.98 19.55 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.317 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.88 126.64 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . . . -67.47 -77.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.106 0.479 . . . . 0.0 111.623 -172.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -101.42 158.01 18.83 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.322 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 9.2 pt-20 -70.07 -16.66 63.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -47.2 83.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 0.0 110.349 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 67' ' ' LEU . 62.5 t -66.07 -45.21 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.565 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.51 83.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.837 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 49.1 mtt180 -65.19 -41.16 94.82 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.521 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.43 -43.87 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.845 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.4 -48.29 81.12 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -68.92 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 tt -62.73 -51.63 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.75 -31.27 52.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.185 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.7 t -64.77 -41.73 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 92' ' ' LEU . 83.6 t -55.28 -51.53 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.6 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.22 72.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.93 -49.21 48.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.379 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.839 -176.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.29 83.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.321 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 15' ' ' VAL . 54.2 tp -72.58 -44.82 61.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.799 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.41 -35.06 76.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.13 -42.06 96.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.884 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 53.1 tp60 -68.56 -40.91 80.42 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.207 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 11' ' ' LEU . 41.6 t -62.89 -35.17 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.708 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.908 ' HA ' ' HB2' ' A' ' 24' ' ' ASN . . . -61.0 -33.23 72.93 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' B' ' 17' ' ' ARG . 2.4 tpm_? -58.9 -52.69 64.66 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.391 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.48 -47.25 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.016 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.744 ' HA3' ' ND2' ' A' ' 24' ' ' ASN . . . -60.92 -47.33 91.81 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.245 -176.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' B' ' 20' ' ' LYS . 31.0 mtpt -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.994 0.397 . . . . 0.0 111.304 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.97 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.552 HD21 HD11 ' B' ' 67' ' ' LEU . 97.6 mt -75.59 -22.26 57.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.1 84.62 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.236 0.541 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.427 ' OD1' ' HB3' ' B' ' 27' ' ' ARG . 9.1 p30 -158.84 151.69 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.532 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.544 ' HA2' ' HB2' ' A' ' 16' ' ' ALA . . . -102.04 -80.19 1.46 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.432 -0.889 . . . . 0.0 113.173 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.6 -12.49 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.427 ' HB3' ' OD1' ' B' ' 24' ' ' ASN . 43.2 ttm180 -70.08 -18.1 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.104 0.478 . . . . 0.0 110.468 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.22 -12.82 61.07 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.515 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.33 -32.55 70.19 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.211 0.529 . . . . 0.0 109.845 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.75 -48.9 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.045 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.09 -33.1 73.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 10.1 t70 -61.79 -51.48 68.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.529 . . . . 0.0 110.013 174.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.52 -38.31 89.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.4 mm? -75.25 -24.13 57.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.981 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -21.89 61.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 54.5 mt-30 -88.55 -12.83 41.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.713 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.78 164.5 13.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.628 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.8 OUTLIER -81.04 139.07 35.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.511 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -142.72 157.95 44.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.477 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -79.49 158.87 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.9 -43.33 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.886 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 41.1 tt0 -61.07 -39.75 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.178 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.85 73.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.973 0.416 . . . . 0.0 110.668 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.55 -46.99 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.861 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.427 ' HB3' HD23 ' B' ' 52' ' ' LEU . . . -64.69 -47.56 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.598 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -63.17 -43.24 98.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.219 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.52 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.719 0.295 . . . . 0.0 111.588 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.5 p -86.53 -15.99 38.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.502 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.38 28.58 32.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.648 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.5 mtm -118.28 170.84 8.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.826 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.5 158.54 28.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 73.5 mt -63.57 -39.75 95.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.907 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.7 m -67.65 -34.81 77.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.974 0.416 . . . . 0.0 110.551 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -69.14 -44.36 72.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.063 0.459 . . . . 0.0 110.398 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -61.61 -49.53 76.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.262 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.3 p -62.0 -36.53 81.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.547 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.77 91.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.747 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -69.94 -36.51 75.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 97.1 mt -64.61 -39.38 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.408 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.75 -41.2 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.56 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.3 -34.21 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -69.7 -33.75 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.0 m -71.16 -22.53 62.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.461 . . . . 0.0 110.511 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.57 -10.55 70.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.311 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.91 18.23 54.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.708 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.552 HD11 HD21 ' B' ' 22' ' ' LEU . 3.7 mm? -83.92 -49.91 8.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.07 155.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 111.273 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -114.05 169.81 8.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.79 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.31 118.68 29.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.065 0.459 . . . . 0.0 111.44 -176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -104.8 157.13 17.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.734 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -131.02 118.1 20.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.766 0.317 . . . . 0.0 110.812 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.27 103.96 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.141 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.89 -109.21 2.73 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.325 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.8 m -107.23 0.64 23.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.611 0.719 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -101.83 144.47 30.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 78.1 mt-30 -116.0 108.91 16.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 173.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -94.31 124.58 38.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.632 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.86 148.65 24.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' B' ' 34' ' ' LEU . 42.0 ttt-85 -152.95 156.25 38.53 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 44.3 mm -55.47 132.19 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -47.68 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -146.67 167.16 28.18 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.468 -178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 37.8 tt0 -65.85 -33.96 77.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.04 -41.05 91.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.632 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' B' ' 67' ' ' LEU . 48.8 t -70.01 -39.66 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.136 0.493 . . . . 0.0 110.436 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.18 96.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 57.5 mtp180 -72.94 -24.13 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.512 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.03 -45.48 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.405 ' HA ' HG12 ' B' ' 93' ' ' VAL . 91.7 t80 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.181 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.41 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.56 -41.62 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.21 -46.86 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 90' ' ' PHE . 10.7 p -66.31 -28.21 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.67 -42.56 99.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.643 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 91' ' ' ALA . 89.4 t -62.04 -40.12 86.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' B' ' 100' ' ' HIS . 61.2 t -64.01 -28.14 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.174 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.59 -30.7 14.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.749 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.51 -70.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 111.442 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -67.13 -43.11 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.337 0.589 . . . . 0.0 110.959 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 96' ' ' VAL . 39.1 t-80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.893 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 4.6 mmp_? . . . . . 0 N--CA 1.463 0.196 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.9 -33.93 59.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.882 0.372 . . . . 0.0 110.465 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.43 87.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.9 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.188 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 77.1 mt -67.72 -47.25 69.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 109.972 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 15' ' ' VAL . 90.2 mt -69.36 -31.49 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.807 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.67 -44.85 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -65.63 -44.09 87.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.509 HG12 HG22 ' B' ' 93' ' ' VAL . 30.3 m -67.42 -32.01 55.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.011 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -70.06 -39.07 75.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.83 -45.32 78.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 176.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 67' ' ' LEU . 60.7 t -62.42 -45.26 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.519 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.45 92.39 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.487 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 61.3 mtpt -62.01 -37.98 86.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.974 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.4 72.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.234 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.1 mt -85.56 -3.87 58.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.784 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.36 16.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.485 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.9 t-20 -142.21 118.46 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 29' ' ' GLN . . . -61.43 -33.6 85.28 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.607 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.87 -24.35 64.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.911 0.355 . . . . 0.0 111.135 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -81.82 -31.49 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.389 0.614 . . . . 0.0 109.392 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 79.4 mt -71.13 -28.85 64.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.728 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 76.6 mt-30 -59.39 -33.54 71.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.189 0.519 . . . . 0.0 109.932 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.9 mt -70.32 -43.77 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.38 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.1 -37.8 78.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.03 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.88 -49.72 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.249 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 85.8 mt -58.28 -39.92 80.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.88 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 57.7 mt -76.97 -13.61 59.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.237 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.8 49.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.99 -37.49 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.51 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 34' ' ' LEU . . . 173.64 -173.95 45.98 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 144.81 35.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.198 0.523 . . . . 0.0 110.615 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -137.7 131.75 31.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.501 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.28 159.34 33.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.736 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.7 t -48.57 -41.93 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.471 0.482 . . . . 0.0 111.217 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.77 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.234 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.39 94.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.43 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.447 HD13 HD21 ' A' ' 59' ' ' LEU . 82.8 mt -61.05 -47.53 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.251 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.14 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.139 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -61.77 -45.26 94.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.32 66.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.2 p -98.45 -14.76 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.116 0.484 . . . . 0.0 111.181 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 32.78 47.76 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.95 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.4 mtm -118.19 172.16 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -85.46 158.4 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -57.77 -41.59 82.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.402 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -70.31 -38.98 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.956 0.408 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.3 m -59.21 -48.53 81.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.149 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.95 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.544 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 37.2 t -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.622 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.23 77.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.077 0.465 . . . . 0.0 110.897 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.49 -42.85 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.686 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 44' ' ' ILE . 90.2 mt -64.63 -37.29 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.344 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 56' ' ' SER . 77.1 mt-30 -60.66 -44.51 96.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.681 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.68 81.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 0.0 110.255 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.67 -39.07 87.05 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.668 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -69.62 -42.81 73.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.649 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.8 p -68.62 -22.23 64.44 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 111.259 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.28 -16.49 78.71 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.412 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.18 18.88 58.45 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.068 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 18' ' ' VAL . 7.8 mp -89.83 -39.21 13.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.86 158.03 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.009 0.433 . . . . 0.0 111.69 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 38.1 mt-10 -116.19 158.27 23.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.033 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.94 109.45 20.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.598 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.789 ' HE ' ' HA ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -98.19 106.14 18.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.853 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -89.79 110.06 21.0 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.098 0.475 . . . . 0.0 110.052 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.45 107.61 15.77 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.09 -116.83 5.42 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -110.23 -2.05 17.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.165 0.507 . . . . 0.0 109.976 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -102.11 140.09 36.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.565 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -112.98 116.47 30.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.873 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.2 m-85 -100.76 131.16 46.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.001 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.26 146.4 27.58 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 0.0 110.339 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -153.17 162.96 40.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.599 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -59.92 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.23 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.323 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.51 166.5 28.67 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.908 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -54.42 -35.95 63.47 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.465 0.306 . . . . 0.0 111.093 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.575 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 33.9 t70 -63.87 -38.39 90.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 67' ' ' LEU . 44.2 t -67.51 -37.21 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.164 0.506 . . . . 0.0 109.73 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.39 86.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.096 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 62.0 mtp180 -56.05 -40.78 74.03 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.51 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.16 -51.23 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.498 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -66.04 -36.58 83.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.049 0.452 . . . . 0.0 110.763 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.47 -40.62 89.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 57.0 tp -64.46 -48.62 74.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -177.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.93 -32.0 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.485 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -67.24 -44.76 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.501 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 91' ' ' ALA . 92.9 t -61.96 -47.14 94.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.332 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.511 HG13 ' HB2' ' B' ' 85' ' ' ASP . 92.5 t -55.04 -45.78 76.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.081 176.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.88 53.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.898 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.29 -48.87 67.99 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 111.913 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.781 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.112 0.482 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.07 72.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.241 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -61.25 -37.96 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.59 -38.82 77.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.06 0.457 . . . . 0.0 110.098 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.33 -29.7 68.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.14 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.48 -35.93 58.12 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.537 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 85.3 mm-40 -64.9 -44.59 89.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.929 0.395 . . . . 0.0 110.82 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.464 HG23 HD13 ' A' ' 28' ' ' LEU . 27.6 m -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.511 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -72.83 -37.96 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.218 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -57.72 -51.68 68.55 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.51 -33.12 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.68 98.54 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.909 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 94.5 mttt -59.31 -37.53 77.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.849 0.357 . . . . 0.0 110.64 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.46 -25.78 54.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.393 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.45 -28.38 31.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 78.11 2.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.712 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 22.9 t-20 -179.33 99.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.787 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . -61.62 -23.92 63.51 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 114.218 -172.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -71.34 -48.33 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.328 0.564 . . . . 0.0 111.864 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.43 ' HD3' ' OD1' ' B' ' 58' ' ' ASN . 5.3 ptt180 -82.67 -8.65 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.833 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 79.7 mt -66.27 -20.89 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.218 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -60.93 -29.34 69.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.345 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.7 mt -68.48 -44.46 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.257 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.13 -40.35 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.435 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.07 -36.42 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 53.6 tp -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.25 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.487 ' HB3' ' HA ' ' B' ' 80' ' ' ARG . 64.6 mt -82.91 -6.94 59.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.357 . . . . 0.0 111.394 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.01 -14.16 56.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.086 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 11.6 pt20 -105.87 4.02 29.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.985 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.13 167.83 15.13 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.352 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' B' ' 80' ' ' ARG . 8.9 pt-20 -79.73 120.06 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.185 0.517 . . . . 0.0 110.574 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 39' ' ' ARG . 23.6 mmt180 -115.8 145.25 42.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -77.73 158.87 29.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.99 -36.13 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 123.408 0.442 . . . . 0.0 111.508 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.463 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.1 mt-10 -60.47 -51.96 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.533 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.56 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.691 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.78 -51.67 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -57.92 -48.0 81.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.154 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.85 -47.27 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.6 66.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.997 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.433 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 32.5 p -98.38 -6.05 31.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.97 36.31 36.37 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.724 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.433 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 24.2 ptp -133.57 174.94 9.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.746 0.308 . . . . 0.0 110.698 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -90.21 158.09 17.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.317 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.463 HD21 ' HG2' ' B' ' 42' ' ' GLU . 10.0 mp -53.02 -43.71 66.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.616 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.3 m -65.36 -40.87 94.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.863 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 15.3 m -62.42 -44.87 95.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.267 0.556 . . . . 0.0 110.133 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -63.3 -48.81 76.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.729 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 26.0 t -55.59 -41.34 73.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.024 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.01 83.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.43 ' OD1' ' HD3' ' B' ' 27' ' ' ARG . 45.6 m-80 -67.77 -36.67 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 95.4 mt -62.92 -37.56 87.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.936 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -32.85 72.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.758 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.51 -40.93 76.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.709 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 0.0 110.587 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -72.73 -38.01 67.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.754 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -72.68 -28.23 62.57 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.1 -23.37 77.21 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.578 171.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.01 25.5 14.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.546 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.53 HD12 HG13 ' B' ' 86' ' ' VAL . 3.1 mm? -92.88 -49.2 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.546 -177.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.92 156.93 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.248 0.547 . . . . 0.0 112.214 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.419 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 38.5 mt-10 -113.83 163.97 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.13 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.77 130.51 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.999 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -125.05 112.51 16.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.715 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -92.1 120.28 32.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -131.63 125.59 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.0 0.428 . . . . 0.0 110.28 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.82 -101.12 1.27 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -131.34 -1.14 3.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -109.35 148.69 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 -175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -108.67 124.5 50.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.91 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 53.3 m-85 -99.51 126.1 45.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.039 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.424 ' CD1' HD13 ' B' ' 59' ' ' LEU . 53.7 m-85 -111.96 148.8 32.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.619 ' HB3' ' HA ' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -162.04 163.36 28.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.9 mm -56.4 129.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.561 0.538 . . . . 0.0 109.732 175.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.419 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -53.86 -71.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.664 0.603 . . . . 0.0 112.022 -175.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.46 -154.78 6.98 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.283 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.53 ' HG3' ' HD2' ' B' ' 88' ' ' ARG . 6.6 tp10 -59.98 -46.39 89.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.039 -0.58 . . . . 0.0 110.921 -175.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ASP . . . . . 0.511 ' HB2' HG13 ' A' ' 96' ' ' VAL . 12.3 p-10 -56.3 -44.71 80.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.82 -176.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.53 HG13 HD12 ' B' ' 67' ' ' LEU . 54.3 t -69.36 -44.68 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.98 0.419 . . . . 0.0 111.178 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.97 92.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.13 -177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.53 ' HD2' ' HG3' ' B' ' 84' ' ' GLU . 55.9 mtp180 -64.52 -43.11 95.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.21 -55.97 17.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.526 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.07 -44.37 80.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.197 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 96' ' ' VAL . 49.6 tp -61.4 -46.58 89.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.118 -176.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.509 HG22 HG12 ' A' ' 15' ' ' VAL . 9.2 p -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.675 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -70.26 -37.38 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 91' ' ' ALA . 73.4 t -62.99 -46.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 177.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 93' ' ' VAL . 7.5 m -65.37 -25.66 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.696 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.18 -54.02 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.11 -48.07 77.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.934 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -69.71 -24.84 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.412 . . . . 0.0 110.962 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' B' ' 96' ' ' VAL . 19.6 m-70 . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.754 0.311 . . . . 0.0 111.171 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.481 0.181 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.68 -32.0 69.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.311 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.458 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.64 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.2 -45.26 63.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.226 0.536 . . . . 0.0 109.734 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HB3' HD12 ' B' ' 28' ' ' LEU . 87.4 mt -67.12 -30.73 70.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.447 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.38 -41.06 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.12 -41.53 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.442 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -58.94 -37.96 77.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.473 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -67.08 -41.77 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.311 -0.156 . . . . 0.0 111.342 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.86 -51.0 77.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.45 0.643 . . . . 0.0 110.023 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.31 77.67 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 51.3 tttm -67.91 -34.8 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.771 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.9 -34.86 64.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.551 ' HG ' HD21 ' A' ' 28' ' ' LEU . 8.9 tt -80.55 -17.49 51.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.75 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.11 98.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -175.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.728 ' HA ' ' HB1' ' B' ' 16' ' ' ALA . 27.2 t-20 65.99 104.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.529 172.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.71 149.04 6.11 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.127 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.17 -4.49 53.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG2' ' OD1' ' A' ' 58' ' ' ASN . 96.0 mtt180 -56.86 -21.27 28.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.141 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD21 ' HG ' ' A' ' 22' ' ' LEU . 88.1 mt -65.21 -13.76 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.349 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.13 -25.62 68.17 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.5 mm -64.43 -52.59 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.91 -36.94 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.406 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.77 -46.28 87.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.488 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 38.4 tp -69.3 -37.34 77.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.003 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.9 mt -76.8 -16.68 59.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 0.0 111.246 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -14.6 61.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.222 0.534 . . . . 0.0 110.157 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.479 ' OE1' HD12 ' A' ' 33' ' ' LEU . 81.0 mt-30 -86.89 -24.77 24.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.594 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.79 173.76 24.81 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.8 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.566 ' HG3' ' HB2' ' A' ' 80' ' ' ARG . 44.0 tt0 -71.46 128.51 36.08 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.508 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 37.9 mmt180 -119.58 148.77 42.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -175.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -82.22 156.72 24.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 77' ' ' GLN . 66.5 t -53.51 -46.05 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.729 0.3 . . . . 0.0 111.501 -177.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.64 -43.58 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.178 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.59 98.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.572 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.4 mt -60.01 -48.85 86.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.456 177.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.85 42.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.9 m -59.56 -47.82 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.14 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.6 p -85.33 -16.89 38.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.86 0.362 . . . . 0.0 111.299 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.8 16.79 53.99 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.7 mtm -109.89 178.55 4.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.68 0.276 . . . . 0.0 110.376 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -105.27 169.5 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.83 -45.95 88.82 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -62.06 -48.37 80.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 0.0 111.569 -176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.4 m -66.42 -39.96 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.561 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -60.75 -50.19 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.684 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -60.07 -36.73 78.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.054 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.79 76.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' OD1' ' HG2' ' A' ' 27' ' ' ARG . 40.3 m-80 -68.83 -36.7 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 97.6 mt -59.22 -46.51 88.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.57 -44.0 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.55 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.273 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.61 -28.38 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.62 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 56.6 tttm -72.14 -35.8 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.364 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 m -65.68 -32.92 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.26 -24.48 76.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.938 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.25 21.52 17.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.607 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.23 -42.13 14.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.431 . . . . 0.0 111.177 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -123.37 158.12 28.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 112.16 -174.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -119.9 171.4 8.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.617 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.79 131.84 29.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.907 0.384 . . . . 0.0 111.876 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -127.56 124.1 37.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 4.3 ptm180 -98.72 138.65 35.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.555 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.84 103.45 6.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.086 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.74 -105.98 1.8 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.081 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -107.97 -16.45 14.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.201 0.524 . . . . 0.0 110.096 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -94.15 158.38 15.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.702 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 64.2 tt0 -132.9 123.82 26.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.396 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 55.8 m-85 -100.15 135.12 42.07 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -109.3 137.4 47.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HB2' ' HG3' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -145.72 146.62 31.32 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -174.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.559 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 52.5 mt -54.16 131.61 16.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -41.18 -47.39 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.12 177.64 37.4 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.36 -33.8 75.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.61 -46.86 77.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.109 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 82' ' ' ALA . 25.0 t -79.25 -32.74 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.5 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HA ' HG21 ' A' ' 81' ' ' ILE . . . -63.66 -46.14 86.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.038 0.447 . . . . 0.0 110.195 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 88' ' ' ARG . 52.5 mtt180 -70.95 -22.78 62.17 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.019 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.09 -48.18 77.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.75 -38.43 86.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.33 -46.44 80.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.0 tt -60.27 -47.87 84.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.967 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.48 -31.28 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.503 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 92.3 t -66.05 -42.47 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.232 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 92' ' ' LEU . 73.3 t -52.91 -37.56 26.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.19 -73.3 0.4 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.238 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.96 -47.66 82.26 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -169.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 10.7 tp10 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.238 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.37 80.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.77 71.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.952 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.65 -43.84 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.92 -37.54 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.41 -45.77 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.312 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -63.4 -44.36 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.115 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -67.41 -30.31 48.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.068 0.461 . . . . 0.0 110.246 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.728 ' HB1' ' HA ' ' A' ' 24' ' ' ASN . . . -70.55 -32.56 70.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.127 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.28 -43.3 78.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.137 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.89 -46.82 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.023 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.82 -31.6 80.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.637 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.52 -45.44 92.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.72 0.295 . . . . 0.0 110.757 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.33 -18.88 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.31 -32.51 29.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.617 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.25 84.37 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.667 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 19.1 t-20 -173.08 112.73 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.27 172.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.96 95.53 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.853 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -62.58 -38.45 90.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.458 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' B' ' 24' ' ' ASN . 40.9 ttm180 -78.1 -26.52 48.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.675 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 90.3 mt -62.01 -23.93 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -62.1 -32.38 72.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.056 0.455 . . . . 0.0 110.441 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.45 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.8 mt -67.03 -44.81 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.258 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.72 -36.02 82.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.896 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.73 -43.14 94.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.107 0.479 . . . . 0.0 110.211 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.76 -35.07 76.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 73.4 mt -83.55 -8.46 59.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 0.0 111.597 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -7.86 53.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.685 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -114.33 5.39 15.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.95 -162.0 27.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.26 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.7 OUTLIER -96.79 137.15 36.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.768 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -136.21 144.44 44.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.0 149.23 46.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.87 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 77' ' ' GLN . 60.6 t -56.49 -39.21 60.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.309 0.38 . . . . 0.0 110.654 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 2.9 tm-20 -56.53 -47.82 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.472 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -38.76 81.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 40' ' ' ALA . 86.7 mt -61.14 -49.47 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.7 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.313 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.19 -22.06 63.93 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.7 p -96.97 -13.33 22.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.774 0.321 . . . . 0.0 111.228 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.94 39.28 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.044 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 68.7 mtm -118.7 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.0 110.479 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -98.55 160.33 14.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.561 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 92.7 mt -55.93 -45.33 78.78 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.23 0.331 . . . . 0.0 111.304 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -67.14 -35.9 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -65.77 -45.15 83.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 110.767 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.29 84.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.583 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -60.5 -38.42 84.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.65 85.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.935 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -68.34 -33.24 73.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' B' ' 79' ' ' TYR . 81.1 mt -66.22 -34.65 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -65.97 -36.22 82.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.147 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.16 93.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -36.08 82.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.927 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -65.57 -40.64 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.225 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -66.62 -30.9 71.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.439 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.91 -29.74 70.67 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.32 20.21 52.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.023 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.714 ' HB2' HG11 ' B' ' 86' ' ' VAL . 1.4 pt? -105.23 -1.78 24.92 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.81 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.53 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.975 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.469 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 42.1 mt-10 -119.19 151.09 38.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.52 137.28 46.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 11.2 mmm180 -124.4 127.3 47.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.82 109.29 20.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 104.04 11.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.29 -104.96 1.52 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 t -121.97 5.21 9.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.51 0.672 . . . . 0.0 109.547 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -95.01 145.14 25.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.166 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.44 ' O ' HG23 ' B' ' 41' ' ' VAL . 26.5 tt0 -112.0 117.83 33.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 30.2 m-85 -104.22 153.35 21.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.427 ' CD1' HD13 ' B' ' 59' ' ' LEU . 11.9 m-85 -128.26 157.85 39.78 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.306 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -158.9 172.07 18.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.458 HG22 ' H ' ' B' ' 83' ' ' GLY . 45.6 mm -76.45 134.38 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.469 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -69.0 -24.61 64.24 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLY . . . . . 0.458 ' H ' HG22 ' B' ' 81' ' ' ILE . . . -158.84 151.59 22.58 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.0 OUTLIER -61.14 -34.16 74.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.081 0.467 . . . . 0.0 110.308 178.376 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ASP . . . . . 0.548 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 5.3 t0 -63.27 -32.7 74.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.566 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.714 HG11 ' HB2' ' B' ' 67' ' ' LEU . 57.5 t -69.5 -40.7 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.98 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.41 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 89.5 mtt180 -63.27 -45.25 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.578 176.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.43 ' HB2' HD22 ' A' ' 92' ' ' LEU . 44.1 tp -58.69 -50.48 73.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.22 -46.56 85.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.908 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.505 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.8 -44.95 88.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.4 tt -60.02 -53.31 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.816 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.33 -31.15 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.038 0.447 . . . . 0.0 110.991 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -67.16 -41.56 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.119 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 91' ' ' ALA . 75.0 t -61.69 -47.5 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 175.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 92' ' ' LEU . 93.9 t -52.06 -45.94 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.815 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.4 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.63 -35.61 74.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 111.517 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.7 -53.69 31.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.234 0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.485 -175.257 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 47.4 mtt180 . . . . . 0 C--O 1.223 -0.292 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -60.1 -54.8 41.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.4 92.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.62 64.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 4.5 tt -72.2 -50.37 28.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' B' ' 28' ' ' LEU . 78.2 mt -64.79 -33.86 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.435 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.46 -53.47 57.75 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.6 pt20 -75.49 -35.7 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.797 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 12' ' ' LEU . 35.2 m -70.55 -31.34 46.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.452 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -68.13 -35.71 78.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -63.83 -39.52 94.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.521 176.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 14' ' ' GLN . 63.5 t -61.46 -43.81 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.2 -22.0 70.52 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.885 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.1 mtpt -71.99 -46.92 55.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.923 0.392 . . . . 0.0 110.286 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.41 69.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 110.049 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 18.6 tp -91.7 24.4 3.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.306 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HB3' HH21 ' A' ' 27' ' ' ARG . . . -78.57 15.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 110.323 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.678 ' CG ' ' HA ' ' B' ' 16' ' ' ALA . 27.4 m-80 70.88 -170.83 0.16 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.304 169.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.61 -157.3 15.03 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 26' ' ' ARG . 5.2 ptp180 -64.7 -22.74 67.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.967 0.413 . . . . 0.0 110.964 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.534 HH21 ' HB3' ' A' ' 23' ' ' ALA . 16.9 ptt180 -72.83 -10.21 59.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.46 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.62 HD11 ' OD1' ' A' ' 24' ' ' ASN . 30.3 mt -73.12 -30.07 63.35 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.307 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.58 -26.54 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.857 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.99 -49.79 41.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.952 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.64 -40.78 93.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.905 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.83 -40.43 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.807 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 tp -70.62 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.489 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.86 -31.25 70.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.64 -21.3 66.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.5 . . . . 0.0 110.595 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -95.96 -0.48 50.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.706 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.67 137.76 3.37 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.264 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.19 141.4 45.49 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -154.75 172.43 17.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 -171.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -76.37 163.21 27.21 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.317 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -59.67 -40.98 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.405 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 mp0 -57.45 -45.47 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.786 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.75 95.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.313 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.24 -48.47 88.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.002 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.8 87.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.326 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -67.49 -50.88 56.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.89 72.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -84.3 -25.46 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.485 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.67 16.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.952 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -125.32 175.74 7.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.133 0.492 . . . . 0.0 111.278 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -75.93 154.06 36.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.606 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 73.1 mt -54.95 -50.57 68.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -64.93 -32.45 74.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.686 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.5 m -65.69 -47.05 76.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.238 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.67 98.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.593 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 39.4 m -59.94 -42.17 93.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -64.48 -37.43 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.051 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 56' ' ' SER . 15.3 mm100 -63.39 -42.62 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.367 . . . . 0.0 110.093 177.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.44 86.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.246 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.611 ' HB3' HG22 ' A' ' 68' ' ' VAL . 6.0 mp -56.09 -43.94 78.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -70.56 -36.26 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -25.94 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.29 -15.67 68.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.524 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.73 49.92 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.687 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.38 -38.8 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.297 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 62' ' ' LEU . 22.2 m -134.04 162.64 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 111.598 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -124.76 166.09 16.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.49 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.03 150.03 48.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 111.702 -173.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 71' ' ' ARG . 63.6 mtm-85 -129.84 115.4 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.513 174.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -79.09 96.76 5.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 172.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.32 88.09 2.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.509 0.671 . . . . 0.0 110.382 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.62 -121.98 10.17 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.135 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -91.84 -5.73 52.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.618 0.247 . . . . 0.0 111.167 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.28 147.9 47.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.103 0.477 . . . . 0.0 110.842 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -114.94 124.36 51.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.653 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.1 m-85 -99.27 140.32 33.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.188 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -120.13 137.6 54.06 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.961 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -133.51 159.44 40.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.726 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 83' ' ' GLY . 54.9 mt -65.43 142.55 16.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -55.87 -24.45 37.09 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -176.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 81' ' ' ILE . . . 170.0 -172.3 43.77 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.201 176.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -70.82 -24.25 62.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.073 0.464 . . . . 0.0 110.091 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -65.34 -50.25 66.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.462 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.486 HG21 ' HB3' ' A' ' 82' ' ' ALA . 59.5 t -70.75 -37.6 69.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.659 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.38 86.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 111.02 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -78.03 -14.21 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.941 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.32 -47.23 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.35 -35.68 80.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.126 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.63 -37.68 85.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.9 tt -61.32 -52.59 64.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.08 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.416 HG22 HG12 ' B' ' 15' ' ' VAL . 7.1 p -67.35 -25.02 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.596 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.85 -42.6 85.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.028 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' ALA . 84.3 t -64.44 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.894 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 92' ' ' LEU . 98.9 t -53.63 -39.75 39.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.408 176.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.525 ' HA ' ' OE1' ' B' ' 14' ' ' GLN . . . -73.81 -60.56 2.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.98 -46.67 75.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -172.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.669 0.271 . . . . 0.0 110.797 -176.409 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.89 93.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.553 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.64 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.832 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.92 -46.2 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.503 ' HA ' HG22 ' B' ' 15' ' ' VAL . 72.0 mt -70.61 -21.73 62.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.997 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.3 t70 -81.05 -38.51 27.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.55 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.525 ' OE1' ' HA ' ' A' ' 97' ' ' ALA . 33.5 tt0 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.503 HG22 ' HA ' ' B' ' 12' ' ' LEU . 34.0 m -66.44 -25.6 35.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.145 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.678 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -57.6 -47.08 83.15 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.313 175.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -60.67 -44.36 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.22 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.13 -56.41 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.698 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.529 ' HA3' HD21 ' A' ' 24' ' ' ASN . . . -62.35 -43.61 98.83 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.409 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -64.68 -26.66 68.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.889 0.376 . . . . 0.0 110.699 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.99 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.54 0.209 . . . . 0.0 110.442 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.452 HD23 HD21 ' B' ' 67' ' ' LEU . 99.1 mt -68.46 -34.29 75.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.61 50.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.629 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' B' ' 27' ' ' ARG . 10.9 p30 -97.83 -32.47 11.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.983 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.77 -99.88 2.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.709 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.38 -10.87 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -172.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.513 ' HB2' ' OD1' ' B' ' 24' ' ' ASN . 91.7 mtt180 -81.59 -10.9 59.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.303 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 12' ' ' LEU . 94.6 mt -67.65 -18.57 65.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.278 177.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.9 -29.12 70.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.144 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.52 -48.86 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.904 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.725 HD11 HD23 ' B' ' 67' ' ' LEU . 90.0 mt -61.32 -37.48 83.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.6 -48.07 83.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.623 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.06 -42.14 89.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.626 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.3 mm? -66.61 -30.34 70.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.776 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.07 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 110.501 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -97.68 -19.33 18.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.723 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.88 153.82 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.625 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -78.47 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.72 0.295 . . . . 0.0 110.338 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.625 ' HD2' ' O ' ' B' ' 38' ' ' GLU . 2.4 mpt_? -138.62 163.69 31.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.368 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.48 164.81 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -46.59 -45.67 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.526 ' HG2' HD21 ' B' ' 52' ' ' LEU . 47.3 mt-10 -59.46 -51.9 67.91 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.57 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.213 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.517 HG21 HD21 ' B' ' 59' ' ' LEU . 74.3 mt -60.64 -47.39 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.497 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.52 94.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.249 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.9 m -64.97 -48.8 72.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.216 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.02 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.74 -10.79 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 35.85 21.8 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.784 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.414 ' HB2' ' HB ' ' B' ' 54' ' ' THR . 24.1 ptp -130.78 -178.47 4.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -100.86 164.67 11.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.526 HD21 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -55.78 -41.06 73.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.259 . . . . 0.0 110.912 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.3 p -61.25 -46.49 90.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.34 0.59 . . . . 0.0 110.744 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 2.9 m -62.19 -49.03 77.4 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.405 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.205 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.5 t -53.97 -48.24 70.53 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.33 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.341 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -65.82 -44.23 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.517 HD21 HG21 ' B' ' 44' ' ' ILE . 82.5 mt -59.6 -49.07 79.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.531 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.33 -26.64 67.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 111.059 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -60.01 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.495 ' HG ' HG22 ' B' ' 68' ' ' VAL . 2.2 pt? -76.84 -12.3 59.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.221 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -68.52 -37.72 80.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.9 m -71.12 -30.65 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.242 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.58 -15.66 68.77 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.985 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.71 17.09 50.04 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.535 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.725 HD23 HD11 ' B' ' 31' ' ' LEU . 7.2 mp -86.97 -48.01 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.81 0.338 . . . . 0.0 111.328 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.495 HG22 ' HG ' ' B' ' 62' ' ' LEU . 31.0 m -116.84 159.74 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.224 0.535 . . . . 0.0 111.42 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.6 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -128.13 155.43 44.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.412 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.65 139.89 52.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.919 0.39 . . . . 0.0 111.801 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.532 ' HD3' ' NH1' ' B' ' 80' ' ' ARG . 28.7 mtp85 -136.13 130.98 34.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.06 174.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -86.23 105.66 16.77 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' B' ' 78' ' ' TYR . 51.9 mt-10 -120.23 128.82 53.71 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.39 -108.34 2.49 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -126.94 8.15 6.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.101 0.477 . . . . 0.0 111.07 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -132.21 156.37 46.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 111.303 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -97.01 120.3 37.1 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.471 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' B' ' 73' ' ' GLU . 72.2 m-85 -95.42 141.07 29.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.319 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.44 ' O ' HD11 ' B' ' 34' ' ' LEU . 27.7 m-85 -114.28 136.45 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.001 174.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.532 ' NH1' ' HD3' ' B' ' 71' ' ' ARG . 9.1 ptp85 -143.07 177.01 8.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.211 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' B' ' 87' ' ' ALA . 48.5 mm -67.78 135.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.6 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -58.23 -48.85 79.09 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.27 168.16 32.5 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.486 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -36.15 81.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.157 0.503 . . . . 0.0 110.76 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 67' ' ' LEU . 42.4 t -65.82 -40.28 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.424 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' B' ' 81' ' ' ILE . . . -62.54 -44.72 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -70.17 -22.78 62.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.458 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.467 HD23 HD22 ' A' ' 92' ' ' LEU . 3.1 tm? -68.18 -49.84 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -65.07 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.289 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.426 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.93 -43.58 82.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.442 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -47.26 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.096 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.525 ' HA ' HG12 ' B' ' 96' ' ' VAL . 22.5 m -65.77 -28.93 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.51 -48.82 59.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.15 0.5 . . . . 0.0 109.987 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.7 t -63.5 -48.25 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.392 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' B' ' 93' ' ' VAL . 12.5 p -62.11 -37.28 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.35 -52.27 59.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 110.492 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.42 -35.16 79.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.043 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.09 -46.61 83.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.318 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 . . . . . 0 C--N 1.332 -0.162 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -178.583 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 7' ' ' ARG . 24.1 ttt180 . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.838 0.351 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.17 -30.76 71.85 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.616 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.05 70.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -34.65 76.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.167 0.508 . . . . 0.0 110.119 177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.66 -43.0 81.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.629 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.3 mt -63.71 -27.36 69.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.802 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.84 -51.02 62.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.141 0.496 . . . . 0.0 110.91 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.26 -31.11 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.964 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.629 HG22 ' HA ' ' A' ' 12' ' ' LEU . 29.9 m -71.43 -28.14 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.912 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.8 -35.7 80.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.052 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.86 -43.26 94.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.179 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -59.53 -44.5 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.878 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.73 -37.15 93.79 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.333 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 66.1 mttm -63.38 -30.29 71.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.626 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.77 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' B' ' 16' ' ' ALA . 70.3 mt -97.27 13.26 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.95 -6.49 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.64 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.3 p30 -136.87 138.86 41.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -83.82 -22.8 54.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.793 -172.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -74.71 -23.62 58.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.396 0.598 . . . . 0.0 112.38 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -85.39 -22.41 28.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.069 0.461 . . . . 0.0 109.995 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 80.5 mt -68.87 -20.81 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.037 176.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -56.3 -35.19 67.25 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.226 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.87 -42.37 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.413 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.72 -44.3 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.31 -34.98 77.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.407 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 tt -76.28 -39.2 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.813 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.12 -5.35 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.355 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.31 -11.35 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.022 0.439 . . . . 0.0 110.696 173.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -81.58 -21.25 38.54 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.32 -119.69 1.55 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.192 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.627 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -115.37 144.17 44.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.119 0.485 . . . . 0.0 111.653 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -145.75 148.31 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.755 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.75 154.33 30.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.568 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.75 -36.31 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.51 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.34 -49.67 75.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.154 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.69 -46.33 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.34 -47.93 80.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.93 87.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.044 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 m -62.71 -42.54 99.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.421 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.64 66.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.951 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 p -97.22 -3.06 41.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.824 0.345 . . . . 0.0 111.482 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.35 62.64 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.551 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -124.27 176.31 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -91.92 163.94 13.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.51 HD21 ' HG2' ' A' ' 42' ' ' GLU . 11.1 mp -61.54 -39.2 90.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.813 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -62.61 -46.61 87.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.3 m -61.17 -47.41 86.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.567 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.71 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.164 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.72 -35.96 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.968 -177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.81 87.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.124 0.488 . . . . 0.0 110.551 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -66.44 -41.39 89.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.325 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 79' ' ' TYR . 85.6 mt -63.49 -35.95 82.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.035 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.22 -38.93 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.44 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.78 -32.99 74.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -68.53 -41.78 79.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.41 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 t -68.6 -32.6 72.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.74 -16.96 79.09 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.267 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.13 28.03 19.07 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.254 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HA ' HG11 ' A' ' 86' ' ' VAL . 3.2 mm? -92.38 -53.26 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.494 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 81' ' ' ILE . 34.8 m -126.55 158.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 112.029 -174.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.95 172.9 6.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.408 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.6 132.85 44.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.045 0.45 . . . . 0.0 111.53 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -122.8 128.56 50.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.101 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -88.56 101.71 14.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.103 0.478 . . . . 0.0 110.071 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 1.1 tm-20 -107.15 113.86 27.55 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.02 -103.69 1.35 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.617 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -118.29 -16.8 9.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.088 0.471 . . . . 0.0 110.824 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -104.99 153.57 21.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.57 0.7 . . . . 0.0 112.033 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.4 117.54 31.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.203 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 74.6 m-85 -95.92 133.63 39.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.019 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.503 ' CD1' HD13 ' A' ' 59' ' ' LEU . 23.5 m-85 -108.57 139.74 42.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.28 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.627 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 48.6 ttp180 -147.97 145.82 28.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.422 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 83' ' ' GLY . 52.8 mt -61.73 129.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 -9.86 58.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -169.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -170.31 149.63 13.16 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.839 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.58 -29.94 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.877 0.338 . . . . 0.0 110.145 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.09 -43.86 67.13 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 173.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.489 HG11 ' HA ' ' A' ' 67' ' ' LEU . 60.8 t -65.25 -44.19 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.485 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.01 96.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.1 mtp180 -64.71 -34.97 79.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.002 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.79 -46.71 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.44 -38.84 85.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.85 -42.16 81.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.46 -52.73 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.506 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.12 -33.01 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.045 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.79 -43.24 80.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.853 0.359 . . . . 0.0 110.474 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 91' ' ' ALA . 99.0 t -68.49 -48.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.366 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.6 t -59.24 -39.04 77.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.1 77.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.658 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.36 66.4 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.792 -175.04 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.003 0.43 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.671 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -30.85 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.555 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.46 -36.14 78.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.055 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.23 -30.77 69.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.612 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -77.74 -32.21 52.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.155 0.503 . . . . 0.0 110.025 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -63.99 -47.94 78.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.52 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.24 -25.87 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.434 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -65.81 -33.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -68.19 -36.85 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.976 0.417 . . . . 0.0 110.155 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 54.1 t -64.83 -49.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.036 175.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.52 -37.9 94.93 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.183 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -59.43 -38.19 80.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.057 0.456 . . . . 0.0 110.589 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.482 ' HB1' ' NH2' ' B' ' 27' ' ' ARG . . . -71.78 -27.86 63.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.566 ' HA ' HD21 ' B' ' 28' ' ' LEU . 79.0 mt -83.95 -17.44 40.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.76 -3.44 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -174.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.447 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 26.9 t-20 -87.06 -38.73 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 110.859 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 16' ' ' ALA . . . 81.94 -59.57 4.86 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.551 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.27 -42.93 99.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.84 0.352 . . . . 0.0 111.407 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.762 HH21 HD23 ' B' ' 62' ' ' LEU . 12.0 ptm180 -68.59 -11.16 59.64 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.881 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.566 HD21 ' HA ' ' B' ' 22' ' ' LEU . 55.7 mt -78.58 -16.36 57.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 -177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.53 -32.92 72.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.442 HG22 HD23 ' B' ' 34' ' ' LEU . 57.3 mt -66.26 -34.15 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.35 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.72 -37.18 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.293 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.67 -35.57 80.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.298 0.571 . . . . 0.0 110.471 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.465 ' HA ' ' NE2' ' B' ' 36' ' ' GLN . 51.0 tp -75.82 -29.06 58.53 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.719 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.5 mm? -82.4 -17.15 46.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.572 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.5 -0.51 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.424 0.63 . . . . 0.0 110.094 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' B' ' 33' ' ' LEU . 51.8 mt-30 -104.69 -1.53 26.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.222 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.78 -178.43 17.24 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.6 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.14 135.73 46.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -125.38 138.38 54.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.421 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -81.51 155.83 25.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.714 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 77' ' ' GLN . 72.5 t -52.8 -55.13 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 O-C-N 123.331 0.394 . . . . 0.0 111.851 -178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -63.31 -35.91 81.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.312 . . . . 0.0 110.809 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.42 83.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.447 HD13 HD21 ' B' ' 59' ' ' LEU . 87.6 mt -60.6 -46.26 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -54.09 44.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.158 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 m -66.34 -40.92 90.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.26 -28.17 67.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.479 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 31.9 p -100.37 -6.33 25.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.016 0.436 . . . . 0.0 111.158 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.31 35.87 56.16 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.425 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.479 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 23.4 ptp -122.18 169.6 10.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -86.9 162.12 17.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.34 -44.57 80.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.033 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.1 m -58.34 -40.83 83.23 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.1 m -67.44 -52.15 43.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.718 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.45 98.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.266 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -60.7 -42.05 96.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.839 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.78 85.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 110.768 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.2 m-20 -64.35 -43.08 95.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.447 HD21 HD13 ' B' ' 44' ' ' ILE . 95.9 mt -64.17 -42.05 96.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.423 . . . . 0.0 110.204 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.39 87.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.886 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.762 HD23 HH21 ' B' ' 27' ' ' ARG . 97.2 mt -64.06 -38.99 93.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.004 0.431 . . . . 0.0 110.74 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.31 -35.31 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -72.6 -29.89 63.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.34 -20.35 79.87 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.657 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.64 29.27 9.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.984 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.36 -35.19 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.834 0.317 . . . . 0.0 111.798 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 m -130.04 156.84 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 0.0 112.342 -173.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -119.44 176.98 5.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.332 173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.97 148.89 31.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.438 0.637 . . . . 0.0 112.654 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.603 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 13.8 mmm180 -124.23 96.25 4.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.965 173.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -86.86 133.37 33.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.443 ' HB3' ' HE1' ' B' ' 78' ' ' TYR . 37.9 tt0 -133.3 96.74 3.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.077 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.94 -116.46 9.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.751 -174.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.1 p -95.34 3.63 54.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 110.414 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.74 143.79 26.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.278 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.429 ' O ' HG23 ' B' ' 41' ' ' VAL . 53.4 mt-30 -124.61 103.85 8.37 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.052 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.576 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 23.1 m-85 -90.42 157.28 17.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' B' ' 59' ' ' LEU . 37.4 m-85 -121.82 162.17 21.4 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 174.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.603 ' HD2' ' HG2' ' B' ' 71' ' ' ARG . 15.8 ptm180 -153.88 155.62 36.05 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.42 134.26 29.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.71 -41.78 64.23 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -173.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.69 167.96 33.73 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.243 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.6 -40.82 96.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.79 -27.66 64.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.117 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.41 -37.13 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.286 0.565 . . . . 0.0 109.556 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.75 77.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.199 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 88' ' ' ARG . 45.2 mtp180 -59.84 -36.43 76.8 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.506 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 93' ' ' VAL . 8.1 tt -59.44 -56.52 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.914 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.422 ' HE1' ' HB3' ' B' ' 28' ' ' LEU . 90.4 t80 -58.66 -40.43 83.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.488 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -59.63 -52.08 67.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 89' ' ' LEU . 77.1 t -57.56 -53.64 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.293 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -75.46 -22.31 57.38 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.734 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 91' ' ' ALA . 35.7 t -68.68 -46.22 80.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.409 0.147 . . . . 0.0 110.948 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.27 -25.8 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.505 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.0 -66.87 0.74 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.4 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.51 -43.31 90.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.76 -24.06 62.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 . . . . . 0 C--O 1.236 0.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.73 178.628 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.788 0.328 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HA ' HD23 ' A' ' 11' ' ' LEU . 62.6 tttm -74.77 -25.17 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.368 0.604 . . . . 0.0 109.654 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.24 -16.11 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.46 63.62 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.024 0.44 . . . . 0.0 110.369 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 8' ' ' LYS . 2.3 mm? -77.42 -33.11 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.499 ' HA ' HG22 ' A' ' 15' ' ' VAL . 89.4 mt -70.64 -34.47 72.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.879 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.03 -37.47 87.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.858 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -67.4 -49.16 65.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.966 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' LEU . 27.5 m -68.28 -24.94 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.678 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -35.47 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 17' ' ' ARG . 15.4 ttp180 -64.93 -40.69 95.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.024 0.44 . . . . 0.0 109.954 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.32 -48.29 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.347 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.95 -35.58 92.26 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.273 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.79 -39.62 85.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.727 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.009 0.433 . . . . 0.0 110.816 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.499 ' HA ' HD21 ' A' ' 28' ' ' LEU . 96.8 mt -69.18 -34.46 74.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.7 16.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.458 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -83.72 -28.76 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.81 -83.67 1.58 Allowed Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.018 -0.611 . . . . 0.0 113.63 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -68.43 -20.13 64.63 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -170.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 60.7 mtt85 -83.32 -8.67 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.749 0.309 . . . . 0.0 111.639 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 22' ' ' LEU . 93.9 mt -70.17 -15.98 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.458 178.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -59.05 -35.37 73.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.381 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.2 -45.12 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.557 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.21 -38.18 85.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.108 0.48 . . . . 0.0 110.5 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.85 -34.14 76.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 54.0 tp -79.93 -23.94 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.463 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 79' ' ' TYR . 3.4 mm? -82.92 -11.75 57.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -25.39 66.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.746 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.9 pt20 -93.2 -2.88 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.13 -175.43 20.65 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.197 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -71.83 140.97 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 137.78 51.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.059 -174.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.53 152.91 40.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 77' ' ' GLN . 61.0 t -56.24 -44.12 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 1.3 mp0 -61.07 -41.82 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.323 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.16 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.778 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.516 HD13 HD21 ' A' ' 59' ' ' LEU . 79.2 mt -59.67 -48.57 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 177.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.07 67.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.822 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.0 m -57.61 -47.41 82.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.38 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.72 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.3 p -86.68 -5.22 59.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.689 0.28 . . . . 0.0 111.626 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 29.35 57.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.324 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.545 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 61.4 mtt -108.45 164.48 12.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -81.15 161.81 23.91 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -59.49 -38.85 81.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.756 0.313 . . . . 0.0 110.444 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -60.46 -45.24 94.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.578 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 1.0 OUTLIER -62.87 -53.83 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.713 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.2 -41.85 89.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.483 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 29.3 t -59.28 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.804 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 110.866 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.45 -38.86 74.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.547 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 44' ' ' ILE . 97.3 mt -66.24 -39.76 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.734 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 56' ' ' SER . 96.3 mt-30 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.473 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.48 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.4 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.89 -33.55 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.446 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.2 -35.38 68.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.02 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 t -70.37 -18.84 63.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.368 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.51 -24.73 41.81 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.628 171.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.26 11.29 42.62 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.713 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.37 -37.51 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.83 160.81 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 112.187 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.562 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 50.0 mt-10 -122.27 167.29 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.859 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.73 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.763 0.316 . . . . 0.0 111.321 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -142.98 135.44 27.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.406 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -92.71 141.9 27.95 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.018 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -140.07 132.53 28.55 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.91 -111.41 4.14 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -118.17 -5.14 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.891 0.377 . . . . 0.0 110.373 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.406 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 77.9 mtt-85 -94.56 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.973 -173.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' VAL . 50.2 tt0 -101.96 111.61 23.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.525 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.1 m-85 -97.61 141.34 30.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.427 ' CD1' HD13 ' A' ' 59' ' ' LEU . 21.6 m-85 -110.52 143.49 40.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.561 173.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 4.5 ptp180 -141.35 160.4 40.21 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.122 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.76 138.98 22.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.71 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -51.83 -43.22 63.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.5 173.73 41.23 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.468 -0.873 . . . . 0.0 111.821 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.441 ' HG3' ' CD ' ' A' ' 88' ' ' ARG . 6.6 tp10 -62.28 -39.08 91.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.013 0.435 . . . . 0.0 109.883 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.3 -36.25 75.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.71 HG21 ' HB3' ' A' ' 82' ' ' ALA . 46.5 t -73.53 -38.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.237 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.39 89.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.23 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.441 ' CD ' ' HG3' ' A' ' 84' ' ' GLU . 36.2 mtp180 -68.23 -27.34 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.193 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.39 -51.24 66.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.16 -38.16 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.34 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.46 -47.56 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.193 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.55 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.402 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.46 ' HB ' HD11 ' B' ' 89' ' ' LEU . 14.9 p -64.51 -32.23 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.731 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.498 ' HG3' HD21 ' B' ' 11' ' ' LEU . 9.8 tt0 -68.76 -41.78 78.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.225 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 89.4 t -61.76 -52.15 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.901 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.82 -43.34 67.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 121.032 0.444 . . . . 0.0 110.596 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.53 -54.37 40.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.794 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.49 -38.48 69.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.949 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 95' ' ' VAL . 44.9 mt-10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 121.203 0.525 . . . . 0.0 111.144 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.73 -40.93 66.54 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.421 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.5 98.72 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 111.011 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.498 HD21 ' HG3' ' A' ' 94' ' ' GLN . 39.2 tp -71.89 -41.12 68.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.847 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.39 -34.03 77.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.657 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.86 -48.53 81.04 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.681 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.523 ' O ' HG23 ' B' ' 18' ' ' VAL . 22.6 tp60 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.644 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.77 -47.6 87.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.542 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.13 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 17' ' ' ARG . 19.8 ttt180 -62.91 -39.85 95.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 14' ' ' GLN . 60.8 t -64.83 -47.01 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.957 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.81 -33.69 87.67 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.348 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -63.28 -37.16 86.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.76 64.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.989 0.423 . . . . 0.0 110.618 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.638 ' HA ' HD21 ' B' ' 28' ' ' LEU . 92.1 mt -80.42 -26.66 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 78.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.481 0.658 . . . . 0.0 111.798 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -162.31 -52.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.942 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.86 -72.02 0.21 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.842 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -83.31 -12.33 56.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.435 -0.45 . . . . 0.0 111.959 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.09 -22.24 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.264 0.554 . . . . 0.0 109.609 169.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.638 HD21 ' HA ' ' B' ' 22' ' ' LEU . 42.3 mt -80.74 -9.06 59.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.649 -177.385 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -58.3 -30.6 66.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.135 0.493 . . . . 0.0 109.687 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.0 mt -65.42 -47.5 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.288 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.507 HD12 HD22 ' B' ' 28' ' ' LEU . 87.4 mt -60.41 -43.19 96.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.022 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.45 -42.58 98.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.187 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.14 -43.21 99.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.697 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 75.8 mt -72.94 -18.97 61.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.56 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.22 0.533 . . . . 0.0 109.808 173.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -77.55 -45.6 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.11 151.11 15.89 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.323 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.52 ' CB ' ' HB3' ' B' ' 80' ' ' ARG . 4.8 pt-20 -76.04 133.34 40.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -146.72 159.19 43.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.63 0.252 . . . . 0.0 110.677 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -82.14 169.58 16.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.923 0.392 . . . . 0.0 111.701 -176.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.13 -44.91 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.541 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.88 -47.75 83.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.641 0.258 . . . . 0.0 110.798 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.89 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.98 -49.59 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.69 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.142 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.22 -43.64 98.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.83 69.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.868 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -93.66 -7.95 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 35.61 25.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.838 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.0 ptp -131.83 170.7 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -91.04 170.72 9.8 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.576 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.34 -42.01 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.156 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -65.37 -41.66 93.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.013 0.435 . . . . 0.0 110.678 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.383 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.322 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m -58.16 -36.9 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.1 77.79 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.812 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.05 -43.48 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' B' ' 79' ' ' TYR . 90.2 mt -60.08 -39.85 87.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.183 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.59 -40.44 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.428 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.87 97.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.819 0.342 . . . . 0.0 110.739 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 98.9 mt -66.13 -39.12 89.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 68' ' ' VAL . 75.6 tttt -67.72 -38.08 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.302 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.9 m -66.24 -27.43 67.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.553 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.0 -26.62 64.05 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.499 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.95 20.71 10.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' B' ' 86' ' ' VAL . 3.5 mm? -89.78 -49.27 6.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.736 0.303 . . . . 0.0 111.471 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 29.6 m -115.79 162.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 112.031 -174.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -124.6 152.62 43.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.915 176.676 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.69 114.37 28.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.207 0.527 . . . . 0.0 111.297 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.634 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 19.4 mmm180 -103.95 94.91 5.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.543 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' B' ' 77' ' ' GLN . 56.2 ttt180 -78.69 122.72 26.34 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -135.32 128.37 31.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.4 -115.32 6.97 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.47 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -116.28 -6.17 11.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ARG . . . . . 0.623 ' HG3' HH11 ' B' ' 76' ' ' ARG . 8.9 ptt85 -117.53 149.05 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 91.8 mt-30 -98.72 131.8 44.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.218 0.532 . . . . 0.0 111.056 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.634 ' HB2' ' HB2' ' B' ' 71' ' ' ARG . 80.4 m-85 -89.08 129.99 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.026 170.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.544 ' CD1' HD13 ' B' ' 59' ' ' LEU . 27.0 m-85 -108.45 136.57 47.85 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.317 0.58 . . . . 0.0 110.534 177.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.52 ' HB3' ' CB ' ' B' ' 38' ' ' GLU . 15.8 ptm180 -148.07 168.67 21.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 56.9 mt -68.02 134.08 30.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -55.02 -42.67 72.88 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.995 -173.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.21 169.78 30.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.019 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -71.47 -29.33 64.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.161 0.505 . . . . 0.0 109.724 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.394 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' B' ' 67' ' ' LEU . 45.9 t -65.57 -38.96 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.61 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.05 87.79 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.17 0.509 . . . . 0.0 110.456 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.3 -34.65 78.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.931 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.46 HD11 ' HB ' ' A' ' 93' ' ' VAL . 7.3 tt -61.4 -49.27 77.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.088 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' B' ' 28' ' ' LEU . 86.2 t80 -64.75 -43.39 93.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.646 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.482 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -61.23 -46.95 88.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 63.1 tp -54.3 -53.11 58.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.655 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 15' ' ' VAL . 13.8 p -64.45 -35.07 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.182 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -72.11 -40.53 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 91' ' ' ALA . 53.3 t -61.6 -50.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.08 -31.09 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.677 0.275 . . . . 0.0 111.048 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.28 -56.02 11.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.385 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 9.6 t70 -57.92 -34.7 70.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.267 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.74 -51.03 71.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.721 0.296 . . . . 0.0 111.364 -173.866 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 . . . . . 0 CA--C 1.523 -0.086 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -61.71 -48.78 79.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.727 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.33 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.113 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.27 86.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' VAL . 88.0 mt -66.71 -38.71 87.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.167 0.508 . . . . 0.0 109.918 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.21 -28.37 70.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.682 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.09 -33.39 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.234 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -67.23 -40.6 86.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.724 HG12 HD21 ' B' ' 22' ' ' LEU . 87.6 t -61.96 -42.28 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.276 174.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.774 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -57.37 -54.85 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.79 -29.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' HA3' HD22 ' B' ' 22' ' ' LEU . . . -68.03 -41.57 87.03 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.268 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 64.7 mtpt -69.15 -32.39 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.636 0.255 . . . . 0.0 111.145 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.21 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.377 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' HD21 ' A' ' 28' ' ' LEU . 8.6 tt -87.49 -14.16 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.281 0.563 . . . . 0.0 110.476 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.41 -6.36 53.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.23 92.65 8.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 178.343 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -60.75 -30.54 72.88 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.542 -0.754 . . . . 0.0 113.209 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -73.26 -22.38 60.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.92 0.391 . . . . 0.0 110.506 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -94.3 -15.8 24.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 90.7 mt -69.83 -24.5 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.84 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.522 ' OE1' HG22 ' A' ' 48' ' ' THR . 22.6 tm0? -61.57 -33.28 73.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.799 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.42 -39.29 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.207 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.52 HD11 HD23 ' A' ' 67' ' ' LEU . 77.8 mt -60.98 -44.93 96.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.558 176.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.23 -39.35 82.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.403 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.9 tp -68.11 -37.66 81.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HD11 ' A' ' 44' ' ' ILE . 84.9 mt -77.41 -24.91 50.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.74 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 110.152 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.59 0.91 54.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.782 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.56 148.84 4.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.41 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.27 140.88 50.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 5.5 ttm180 -146.99 150.02 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.535 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -81.74 157.04 24.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 77' ' ' GLN . 98.4 t -53.02 -45.53 52.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 O-C-N 123.427 0.454 . . . . 0.0 111.988 -177.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.64 -43.49 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.171 0.51 . . . . 0.0 110.578 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . . . -69.86 -36.01 75.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.535 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 40' ' ' ALA . 85.3 mt -64.74 -50.25 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.124 175.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.22 76.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.508 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.9 m -63.9 -49.84 71.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.18 72.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.72 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.522 HG22 ' OE1' ' A' ' 29' ' ' GLN . 40.5 p -83.31 -14.31 53.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.963 0.411 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.84 31.96 51.62 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.149 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 57.4 mtt -116.47 -178.82 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.412 . . . . 0.0 110.239 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -94.5 161.6 14.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.94 -50.52 72.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.632 0.253 . . . . 0.0 111.188 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -59.47 -42.41 91.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.702 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -59.13 -53.61 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.82 85.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.823 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.23 -35.87 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.7 -42.98 81.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -69.36 -39.16 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.429 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' A' ' 79' ' ' TYR . 68.4 mt -65.17 -41.0 95.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.82 -39.56 81.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.97 91.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.759 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.28 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.13 0.49 . . . . 0.0 110.237 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.55 -46.71 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.317 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 p -66.01 -29.64 70.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.223 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.83 -35.09 84.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.469 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.35 16.27 10.51 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.415 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' HA ' HG11 ' A' ' 86' ' ' VAL . 8.1 mp -88.81 -47.27 8.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 111.757 -177.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.91 157.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.462 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.86 157.41 28.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.987 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.31 114.98 26.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.824 0.345 . . . . 0.0 111.253 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.86 104.88 15.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -88.27 116.85 26.77 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -111.77 94.05 4.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.556 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.72 3.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.558 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.5 p -104.21 -4.93 22.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 111.222 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -103.0 137.74 40.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.959 0.409 . . . . 0.0 110.523 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 41' ' ' VAL . 43.9 tt0 -107.43 113.13 26.29 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.644 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 50.3 m-85 -97.32 147.81 23.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.32 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CD1' HD13 ' A' ' 59' ' ' LEU . 19.1 m-85 -122.91 143.2 50.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.289 0.566 . . . . 0.0 111.262 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 80' ' ' ARG . 26.0 ttt85 -150.26 156.82 42.27 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.823 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 87' ' ' ALA . 55.2 mt -60.82 129.36 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.81 74.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.494 -171.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.3 154.14 25.59 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.168 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.4 -34.17 77.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.3 -40.8 98.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.58 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 67' ' ' LEU . 57.5 t -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.175 0.512 . . . . 0.0 110.326 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 81' ' ' ILE . . . -62.48 -46.0 90.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.92 -24.07 62.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.1 tt -64.66 -55.01 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.83 -38.21 84.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.435 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.49 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.5 tt -60.84 -44.15 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 89' ' ' LEU . 73.1 t -58.61 -40.61 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.606 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.413 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 34.3 tt0 -62.16 -45.35 93.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.77 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 92' ' ' LEU . 92.7 t -58.45 -39.49 75.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.57 74.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.1 -40.41 85.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.598 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.609 178.409 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.629 0.252 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.54 77.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.889 0.376 . . . . 0.0 110.438 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.26 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.747 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.65 -43.12 94.66 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.013 0.435 . . . . 0.0 110.624 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.18 -32.85 72.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.041 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.6 -36.37 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.27 -46.22 84.66 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.163 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.422 HG23 HD13 ' A' ' 28' ' ' LEU . 34.3 m -67.68 -31.03 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.34 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -64.82 -38.37 90.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.13 -47.81 83.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.984 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.47 89.95 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.405 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -68.72 -31.04 69.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HA3' ' B' ' 65' ' ' GLY . . . -69.33 -31.95 70.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.217 0.532 . . . . 0.0 110.146 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.724 HD21 HG12 ' A' ' 15' ' ' VAL . 10.1 tt -76.07 -35.84 59.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.618 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 20' ' ' LYS . . . -77.52 76.45 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.863 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.411 ' HB3' ' HD2' ' B' ' 27' ' ' ARG . 36.4 m-80 -133.19 -45.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.05 -107.29 1.37 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.46 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -65.03 -21.04 66.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.764 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD2' ' HB3' ' B' ' 24' ' ' ASN . 100.0 mtt180 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.71 -24.6 62.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 0.0 110.519 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -68.15 -24.53 65.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.154 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -72.89 -37.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.143 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.437 HD11 HD23 ' B' ' 67' ' ' LEU . 84.2 mt -61.53 -41.6 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.462 . . . . 0.0 109.772 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.4 -41.94 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.584 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 16.0 tp -67.61 -35.89 79.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.557 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -80.53 -19.95 44.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.964 0.411 . . . . 0.0 111.124 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.85 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.334 0.588 . . . . 0.0 109.959 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.682 ' HB2' HH21 ' B' ' 39' ' ' ARG . 51.2 mt-30 -77.8 -21.13 52.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.09 168.29 22.75 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.792 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -77.43 125.2 28.95 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.682 HH21 ' HB2' ' B' ' 36' ' ' GLN . 48.4 mtt-85 -132.24 149.0 52.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -173.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -80.99 160.29 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.09 -44.17 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.722 0.296 . . . . 0.0 111.231 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.478 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.9 mm-40 -59.3 -38.51 80.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.45 -48.24 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.406 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 40' ' ' ALA . 77.7 mt -57.95 -50.08 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.017 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.46 89.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.308 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 33.2 m -65.35 -43.91 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.38 72.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.813 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -96.15 -9.22 31.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.688 0.28 . . . . 0.0 111.614 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.8 35.3 62.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.169 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.9 mtm -121.96 169.45 10.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -88.42 155.85 19.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.752 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' B' ' 42' ' ' GLU . 92.9 mt -54.35 -47.88 72.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.605 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.2 p -59.2 -49.66 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.273 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.5 m -56.55 -46.52 80.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.864 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.412 ' HA ' ' ND2' ' B' ' 58' ' ' ASN . . . -64.4 -55.67 19.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -56.15 -40.97 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.405 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.2 68.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.477 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 5.5 p30 -74.92 -26.32 59.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.712 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' B' ' 79' ' ' TYR . 74.3 mt -64.62 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.295 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -66.78 -38.35 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.142 0.496 . . . . 0.0 109.995 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.75 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.643 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 94.6 mt -64.07 -32.83 74.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.33 -38.63 88.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 110.174 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -66.21 -25.81 67.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.721 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' B' ' 21' ' ' ALA . . . -79.25 -16.29 78.64 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.16 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.82 16.16 49.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.312 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.437 HD23 HD11 ' B' ' 31' ' ' LEU . 10.3 mp -90.74 -45.55 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -176.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.56 165.97 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.962 0.41 . . . . 0.0 111.565 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.47 167.91 20.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' B' ' 79' ' ' TYR . . . -117.23 144.01 45.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.188 0.518 . . . . 0.0 111.618 -175.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 31.0 mmm-85 -116.89 100.28 7.67 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.914 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -78.97 96.38 5.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -114.15 112.03 22.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.426 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.22 -103.46 0.66 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.182 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -124.64 19.84 8.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.082 0.468 . . . . 0.0 110.961 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 76' ' ' ARG . 62.0 mtt85 -124.81 151.67 44.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -111.44 107.94 17.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.969 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 91.9 m-85 -99.87 148.85 24.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.121 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.468 ' CD1' HD13 ' B' ' 59' ' ' LEU . 45.5 m-85 -129.71 148.09 51.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.596 173.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -160.38 160.77 32.71 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 68.5 mt -57.89 133.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.52 179.22 40.02 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.772 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.72 -35.43 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.965 0.412 . . . . 0.0 110.686 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.41 -47.13 82.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.119 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 21.7 t -69.39 -39.91 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.378 . . . . 0.0 110.425 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.94 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -74.43 -34.8 63.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.708 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.89 -48.85 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.13 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.76 -39.64 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.488 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.83 -46.86 80.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.387 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -46.13 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.77 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' B' ' 96' ' ' VAL . 7.6 p -69.05 -29.76 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.954 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -69.62 -44.69 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.254 174.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 91' ' ' ALA . 99.1 t -62.9 -43.72 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' B' ' 93' ' ' VAL . 11.2 p -62.76 -37.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.723 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.36 -48.57 33.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.135 0.493 . . . . 0.0 110.733 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.99 -48.22 77.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.62 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -83.44 -22.02 32.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -171.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 N--CA 1.466 0.325 0 O-C-N 122.221 -0.299 . . . . 0.0 111.403 -179.722 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.964 0.411 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -64.62 -22.56 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.54 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -26.7 67.71 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.928 0.394 . . . . 0.0 110.537 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.83 53.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.307 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' VAL . 89.8 mt -71.32 -41.96 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 109.652 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.22 -20.71 63.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.348 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.02 -44.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.89 -41.66 95.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.03 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 11' ' ' LEU . 72.8 t -60.38 -45.41 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.44 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -64.39 -20.96 66.47 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.593 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -79.72 -42.27 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.943 0.402 . . . . 0.0 110.264 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.04 -46.79 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.034 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.31 82.29 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 88.8 tttt -64.34 -37.51 87.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.713 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 -38.0 65.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.314 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 42.6 tp -90.73 25.06 2.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.11 27.77 0.24 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.675 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.849 HD22 HD11 ' A' ' 28' ' ' LEU . 7.0 m120 63.56 -156.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.581 167.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.63 -154.64 20.37 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.39 -176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.79 -11.3 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.27 0.557 . . . . 0.0 110.912 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HG2' ' HB3' ' A' ' 58' ' ' ASN . 66.6 mtm180 -70.04 -25.31 63.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.461 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.849 HD11 HD22 ' A' ' 24' ' ' ASN . 70.0 mt -71.08 -27.92 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.271 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.3 -32.25 71.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 109.743 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 67.0 mt -67.52 -47.71 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.889 175.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 28' ' ' LEU . 94.5 mt -60.31 -40.15 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.585 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.44 -31.43 69.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.781 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 56.8 tp -83.2 -35.09 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.203 178.085 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.2 mt -75.07 -29.07 60.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.824 0.345 . . . . 0.0 111.293 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.87 -25.13 65.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.945 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -98.09 15.11 25.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.06 153.53 6.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.608 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 9.8 pt-20 -71.8 132.79 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.811 0.339 . . . . 0.0 110.398 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 16.2 mmt180 -128.56 146.48 50.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.251 -175.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 159.25 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -51.3 -46.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.351 0.407 . . . . 0.0 111.669 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.41 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.434 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.23 -47.94 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.66 77.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.266 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 m -63.15 -49.35 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.13 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -85.92 -15.07 42.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.834 0.349 . . . . 0.0 111.474 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.12 14.29 80.75 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.262 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 68.4 mtm -119.69 122.87 42.44 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -68.13 167.56 13.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 111.486 -172.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.07 -41.92 36.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -168.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -56.21 -55.37 34.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.797 0.332 . . . . 0.0 111.492 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.6 m -65.84 -40.22 91.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.094 0.474 . . . . 0.0 110.539 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.35 65.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -59.43 -40.35 86.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.783 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.9 91.91 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.932 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 41.0 m-80 -75.66 -37.57 59.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.043 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.37 -46.2 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -61.17 -42.02 97.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.56 90.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 67' ' ' LEU . 93.3 mt -67.34 -35.18 78.87 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -75.12 -37.32 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -67.15 -29.27 68.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.65 73.04 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.64 18.87 42.98 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.71 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.54 ' HG ' HG13 ' A' ' 68' ' ' VAL . 1.3 pt? -104.83 -13.27 15.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.002 0.901 . . . . 0.0 111.308 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG13 ' HG ' ' A' ' 67' ' ' LEU . 21.1 m -129.46 161.47 38.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 174.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.14 155.97 49.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.328 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . . . -123.93 138.2 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.224 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -118.66 144.68 46.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.19 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -97.11 118.36 33.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.614 0.245 . . . . 0.0 110.926 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -126.35 105.35 8.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.002 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -103.08 1.21 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.749 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -115.7 -8.7 12.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.525 0.679 . . . . 0.0 109.882 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -97.63 152.2 19.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.642 0.734 . . . . 0.0 112.302 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -111.74 114.54 27.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.747 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -97.14 123.16 40.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 51.2 m-85 -101.91 143.19 32.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.785 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 38.6 ttp85 -155.55 163.19 40.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.452 ' CG2' ' HB ' ' A' ' 86' ' ' VAL . 47.3 mm -55.84 132.84 19.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.62 76.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.771 0.32 . . . . 0.0 111.773 -174.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.93 155.19 26.05 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.067 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.88 -34.16 65.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.118 0.485 . . . . 0.0 111.074 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.77 -27.23 68.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.301 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' ' 67' ' ' LEU . 46.9 t -76.38 -34.86 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.47 89.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.933 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 88' ' ' ARG . 19.8 mtm105 -69.97 -29.61 66.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.029 175.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' B' ' 92' ' ' LEU . 6.2 tt -65.45 -47.97 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 175.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.09 -37.39 87.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.156 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.93 -44.17 93.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 96' ' ' VAL . 60.7 tp -58.7 -50.66 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.48 HG22 HG13 ' B' ' 15' ' ' VAL . 8.0 p -67.01 -29.97 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.044 0.45 . . . . 0.0 110.542 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.69 -36.45 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.909 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.3 t -62.63 -41.66 93.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 92' ' ' LEU . 84.0 t -53.58 -41.87 47.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.35 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.33 -58.34 3.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.987 0.422 . . . . 0.0 111.143 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.51 -49.02 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.705 -171.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 C--N 1.326 -0.419 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.825 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 pttt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.985 0.421 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -28.72 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.721 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.519 . . . . 0.0 110.211 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 15' ' ' VAL . 4.1 mm? -70.12 -44.46 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.94 -46.45 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.095 0.474 . . . . 0.0 109.889 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -63.49 -44.89 93.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.615 HG12 ' ND2' ' A' ' 24' ' ' ASN . 81.5 t -59.24 -36.74 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.294 175.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.717 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -58.92 -41.65 87.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.625 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -68.12 -42.12 80.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.86 -51.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.267 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.36 72.61 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.41 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -51.26 -39.26 56.35 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.816 0.446 . . . . 0.0 111.932 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -34.56 65.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.433 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.8 tp -91.9 2.75 56.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 -176.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.04 83.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.238 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.455 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 24.4 p-10 -176.18 169.77 2.74 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.539 -174.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.8 169.64 12.4 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.433 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.472 ' HD2' ' SD ' ' B' ' 50' ' ' MET . 0.2 OUTLIER -78.74 -13.77 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 109.647 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.587 ' HB3' ' HB3' ' B' ' 58' ' ' ASN . 16.9 ptt180 -60.63 -18.88 56.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.16 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.77 -32.01 72.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -67.98 -28.79 67.74 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.459 0.647 . . . . 0.0 110.162 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 69.4 mt -69.32 -38.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.691 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.55 -38.62 88.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.288 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.64 -44.67 77.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' B' ' 44' ' ' ILE . 60.0 tp -72.25 -41.47 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.177 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 78.8 mt -67.84 -26.7 66.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 111.268 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.64 -10.46 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.192 0.52 . . . . 0.0 110.478 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -102.62 12.1 36.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.161 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.26 150.76 7.17 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.172 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.76 139.17 48.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.712 ' HG2' ' HB3' ' B' ' 43' ' ' ALA . 14.7 ttm-85 -151.33 152.25 32.9 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.974 -171.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -80.47 159.89 25.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.975 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.46 -44.68 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.223 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' B' ' 52' ' ' LEU . 2.0 mp0 -55.76 -51.53 67.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.156 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.712 ' HB3' ' HG2' ' B' ' 39' ' ' ARG . . . -67.13 -36.85 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.492 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . 84.9 mt -61.2 -47.4 93.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.392 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.34 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.853 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.4 m -62.62 -46.64 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.26 96.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.817 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 8.9 p -86.28 -9.12 57.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 0.0 111.468 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.25 25.82 72.11 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.161 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' B' ' 26' ' ' ARG . 68.7 mtm -107.62 171.29 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -78.43 151.0 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.096 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' B' ' 42' ' ' GLU . 3.9 mm? -48.76 -46.16 40.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.586 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -67.49 -38.34 84.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.304 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -60.67 -48.52 81.41 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.201 0.525 . . . . 0.0 110.235 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.38 76.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.687 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 45.2 t -57.04 -46.53 82.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.238 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.93 81.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.845 0.355 . . . . 0.0 111.232 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.587 ' HB3' ' HB3' ' B' ' 27' ' ' ARG . 38.9 m-80 -71.92 -35.49 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.002 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' B' ' 79' ' ' TYR . 80.5 mt -62.8 -45.91 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.81 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 56' ' ' SER . 94.4 mt-30 -62.03 -38.16 87.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.32 88.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.758 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.1 -39.26 94.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.92 -33.0 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.401 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -69.16 -28.51 66.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.35 -8.57 71.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.386 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 22.63 43.81 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.708 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.61 -42.92 13.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.51 155.34 40.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 0.0 111.868 -176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.98 161.9 14.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.57 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.49 119.13 25.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -103.24 106.68 17.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 72' ' ' ARG . 30.0 ttt180 -97.34 104.34 16.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.384 0.611 . . . . 0.0 111.167 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -100.71 109.91 21.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.483 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.68 -129.69 30.6 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.471 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 5.8 p -94.01 13.43 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.884 0.373 . . . . 0.0 111.469 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -108.65 139.1 43.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.44 . . . . 0.0 111.159 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 76.6 mt-30 -112.05 103.99 12.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.128 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 90.0 m-85 -92.45 121.22 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.978 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.413 ' CD1' HD13 ' B' ' 59' ' ' LEU . 60.0 m-85 -100.9 147.44 26.12 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 121.215 0.531 . . . . 0.0 110.889 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 80' ' ' ARG . 29.5 ttm180 -150.58 157.47 43.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.43 131.11 25.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.78 62.49 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.402 0.439 . . . . 0.0 111.907 -174.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.03 166.84 28.4 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.481 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 1.1 pm0 -68.84 -26.38 65.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.687 0.244 . . . . 0.0 110.389 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.945 0.403 . . . . 0.0 110.079 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.14 -40.59 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.073 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.36 93.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.162 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 64.9 mtm-85 -71.86 -23.81 61.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.63 -48.17 64.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.96 -34.88 79.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.462 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -70.09 -36.68 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' A' ' 89' ' ' LEU . 47.4 tp -63.94 -48.03 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.744 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.51 -27.7 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.206 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' GLN . . . . . 0.413 ' HB3' ' O ' ' B' ' 91' ' ' ALA . 54.2 tt0 -63.31 -43.7 97.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.2 t -63.75 -46.66 93.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -38.42 51.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.655 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.72 -64.11 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -52.61 -45.0 66.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.384 -173.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.93 -29.57 65.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -168.494 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -81.66 -27.33 34.12 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.3 77.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.54 66.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.7 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.7 mt -69.68 -42.19 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.96 -34.05 76.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.18 -42.08 94.0 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.18 -37.25 80.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' LEU . 97.1 t -63.47 -45.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.11 0.481 . . . . 0.0 109.726 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.42 -29.14 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.639 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.647 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 5.6 tpp180 -59.59 -53.56 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.213 0.53 . . . . 0.0 110.044 177.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.3 t -65.5 -40.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.794 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.67 -42.82 98.05 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.092 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.7 ptpt -73.43 -23.49 60.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.03 0.415 . . . . 0.0 110.989 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.31 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.451 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 28' ' ' LEU . 91.5 mt -78.64 -25.41 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.2 3.88 5.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 13.0 m120 -82.61 -36.38 26.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.582 0.23 . . . . 0.0 111.366 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.515 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 76.65 -62.01 3.2 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.059 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -55.1 -45.87 75.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.315 0.579 . . . . 0.0 111.345 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 69.9 mtt180 -78.89 -9.21 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.582 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 22' ' ' LEU . 97.5 mt -69.66 -22.91 63.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.489 ' OE1' ' HD3' ' B' ' 8' ' ' LYS . 10.6 mm100 -59.15 -34.83 72.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.637 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.484 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 61.0 mt -70.62 -41.22 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.098 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 28' ' ' LEU . 83.8 mt -63.54 -43.82 95.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.955 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.46 -26.98 68.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.659 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 2.3 tm? -82.73 -38.25 23.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.063 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 65.6 mt -77.0 -10.41 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.431 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.92 -16.29 64.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -78.61 -31.94 47.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.18 -136.58 5.09 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.756 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.645 ' HB3' ' HD2' ' A' ' 80' ' ' ARG . 9.3 pt-20 -105.12 123.69 48.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.985 0.421 . . . . 0.0 110.422 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.538 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 26.5 mmt180 -124.26 143.26 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.643 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -72.2 153.29 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.7 -43.39 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 52' ' ' LEU . 1.5 mp0 -64.42 -37.82 88.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.465 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.36 77.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.5 mt -59.45 -47.29 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.442 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -62.73 -46.46 87.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.63 84.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.6 p -84.29 -16.56 42.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.21 24.61 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.337 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mtm -126.8 171.32 11.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -92.08 167.64 11.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.82 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.5 mm? -63.37 -41.75 98.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.245 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.5 p -61.49 -46.83 88.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 111.764 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -72.61 -40.48 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.569 0.223 . . . . 0.0 110.585 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.82 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.474 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 p -65.79 -35.53 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.325 . . . . 0.0 110.79 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.05 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.439 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.71 -39.9 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.409 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.0 mt -60.99 -40.27 92.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.288 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.59 -39.92 92.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.53 95.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.52 -34.92 77.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.28 0.562 . . . . 0.0 110.939 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -78.72 -26.97 44.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.413 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -67.22 -37.56 83.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.647 ' HA2' ' HG3' ' A' ' 17' ' ' ARG . . . -67.3 -24.17 73.47 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.8 43.84 13.67 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.76 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.669 ' HB2' HG11 ' A' ' 86' ' ' VAL . 1.4 pt? -125.06 3.97 7.95 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.063 -0.655 . . . . 0.0 112.162 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.75 148.43 25.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 110.79 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -121.11 160.97 22.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -123.0 129.41 51.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.548 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.84 105.91 14.51 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' HG2' ' A' ' 77' ' ' GLN . 21.4 ptt85 -89.92 137.14 32.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 0.0 110.859 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -139.05 112.94 8.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.146 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 -107.53 2.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.47 -175.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -119.16 7.78 11.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.447 . . . . 0.0 110.089 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.14 148.18 26.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.849 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 78.2 mt-30 -121.8 116.0 23.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 175.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -95.6 116.67 29.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 35.3 m-85 -99.55 145.43 27.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.006 0.432 . . . . 0.0 110.308 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.645 ' HD2' ' HB3' ' A' ' 38' ' ' GLU . 12.3 ptm180 -154.41 164.59 38.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.06 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.8 mm -61.14 135.02 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.035 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.12 83.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.67 167.37 33.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.274 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.78 -30.59 70.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 110.999 -177.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.669 HG11 ' HB2' ' A' ' 67' ' ' LEU . 43.4 t -77.11 -39.04 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.762 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.93 94.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.305 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -67.75 -26.49 66.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.115 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.24 -51.59 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.39 -34.03 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.61 -44.74 85.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.206 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.1 tt -58.97 -51.51 69.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.446 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.627 HG12 HD11 ' B' ' 89' ' ' LEU . 19.1 m -65.01 -28.99 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -72.66 -38.04 67.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 91' ' ' ALA . 82.0 t -64.23 -37.0 78.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 174.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' LEU . 88.9 t -61.37 -45.06 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.577 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HB2' HG13 ' B' ' 15' ' ' VAL . . . -71.21 -15.38 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 111.098 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.96 -70.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.378 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.691 -173.261 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.489 ' HD3' ' OE1' ' A' ' 29' ' ' GLN . 82.5 mttt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 111.43 0.159 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.29 -28.44 28.06 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.36 0.412 . . . . 0.0 111.924 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.16 -38.61 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.966 0.413 . . . . 0.0 110.87 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.92 -42.72 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.999 -175.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' B' ' 15' ' ' VAL . 85.8 mt -69.34 -31.21 69.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -178.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.27 -37.91 81.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 6.3 tp-100 -65.8 -47.17 75.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.809 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 97' ' ' ALA . 25.9 m -70.73 -31.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.072 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.32 -24.56 65.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.096 0.474 . . . . 0.0 110.264 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.576 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 42.4 ttm180 -70.88 -42.36 70.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.966 174.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 52.5 t -58.79 -52.69 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.355 176.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.84 -36.69 92.42 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.352 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -67.32 -28.97 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.525 0.203 . . . . 0.0 111.08 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.34 -20.69 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 88.0 mt -85.7 -31.96 22.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.39 84.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.208 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -169.95 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.834 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.456 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . 100.34 -53.04 0.94 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.474 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -57.72 -41.19 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -83.11 -13.38 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.04 0.448 . . . . 0.0 110.488 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.456 HD12 ' HA2' ' B' ' 25' ' ' GLY . 90.7 mt -72.41 -26.34 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.5 -31.98 71.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.111 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.427 HG21 HD21 ' B' ' 59' ' ' LEU . 65.6 mt -69.16 -43.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.328 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -42.24 96.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.8 -33.98 76.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.429 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 31.9 tp -75.43 -48.09 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.828 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.41 HD21 HD11 ' B' ' 44' ' ' ILE . 84.3 mt -71.03 -8.63 54.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.898 0.38 . . . . 0.0 111.62 -177.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -17.28 64.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 3.7 pt20 -86.04 -28.16 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.436 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.43 -173.71 35.53 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.236 -0.507 . . . . 0.0 111.877 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 1.088 ' HG2' ' HB3' ' B' ' 80' ' ' ARG . 40.1 mt-10 -79.84 131.07 35.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.622 0.248 . . . . 0.0 110.708 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -135.16 158.3 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.553 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.455 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.72 150.36 25.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.276 -176.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 47.4 t -51.54 -44.99 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.482 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -44.21 85.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.395 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -40.73 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.985 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 40' ' ' ALA . 79.0 mt -59.63 -47.31 91.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.543 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -49.4 77.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.716 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 55.9 m -59.36 -48.46 81.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.597 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.24 82.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.3 p -88.45 -14.3 38.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 111.507 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.66 51.39 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.297 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -105.56 170.79 7.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.34 163.66 13.79 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.422 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.07 -38.94 84.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.641 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -62.37 -42.04 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -63.66 -49.58 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.41 79.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.441 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 p -61.68 -31.27 71.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.81 -56.04 6.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.579 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.47 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 26.7 p30 -73.3 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.828 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.427 HD21 HG21 ' B' ' 30' ' ' ILE . 57.3 mt -64.09 -41.65 97.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -59.45 -43.5 93.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.464 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.97 82.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.211 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 79.4 mt -65.06 -33.67 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.258 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -71.51 -32.59 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.921 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 44.7 t -64.93 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.576 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -76.74 -14.23 82.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.431 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.24 43.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.379 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 67' ' ' LEU . 4.1 mm? -88.49 -40.05 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.32 154.73 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.122 0.487 . . . . 0.0 111.833 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -116.63 164.35 14.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.789 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.04 137.24 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -171.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -98.14 153.81 18.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.414 ' HG3' ' HG2' ' B' ' 77' ' ' GLN . 43.2 ttp180 -138.96 103.83 4.89 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.999 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -124.15 111.19 15.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.662 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.16 -114.25 4.11 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -112.54 -6.89 13.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.418 0.628 . . . . 0.0 109.483 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ARG . . . . . 0.442 ' HD2' ' CE1' ' B' ' 78' ' ' TYR . 13.4 ttm180 -94.46 140.17 30.17 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.097 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.414 ' HG2' ' HG3' ' B' ' 72' ' ' ARG . 75.5 mt-30 -117.84 135.23 54.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.162 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' B' ' 76' ' ' ARG . 58.5 m-85 -107.52 144.48 34.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.53 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -123.22 145.81 48.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.206 0.527 . . . . 0.0 111.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 1.088 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -144.45 174.72 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.835 174.588 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -67.82 133.79 31.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.62 60.33 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.54 31.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.182 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 43.3 tt0 -68.62 -30.19 68.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.058 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.68 -32.96 59.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.4 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.85 94.93 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.615 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 27.0 mmt180 -72.64 -27.21 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.134 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.627 HD11 HG12 ' A' ' 93' ' ' VAL . 5.7 tt -61.48 -53.47 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.023 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.52 -36.03 81.28 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.116 0.484 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.424 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.28 -47.78 72.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.8 -45.31 94.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.68 -29.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -70.22 -39.19 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 91' ' ' ALA . 76.3 t -60.58 -46.98 94.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.186 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 97.3 t -57.14 -45.53 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.363 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.08 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.374 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.04 -48.79 79.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.782 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.713 ' HG3' ' HD2' ' B' ' 100' ' ' HIS . 5.0 pt-20 -85.23 -18.01 35.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' HIS . . . . . 0.713 ' HD2' ' HG3' ' B' ' 99' ' ' GLU . 10.5 m170 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 62.2 mtp180 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.561 0.219 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -62.78 -41.74 99.38 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.154 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.85 76.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.913 0.387 . . . . 0.0 110.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -66.33 -34.27 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.276 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 96.2 mt -72.76 -37.55 67.63 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 95.3 mt -60.8 -40.97 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.258 175.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.37 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -68.9 -39.91 79.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.266 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.798 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -59.4 -40.15 85.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.94 -43.57 91.24 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.699 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.98 -42.26 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.151 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.37 -41.07 99.77 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.573 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 98.7 mttt -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.5 0.191 . . . . 0.0 110.887 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.2 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.0 tp -77.97 -14.89 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.548 0.69 . . . . 0.0 109.892 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.46 21.37 11.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.252 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.618 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -80.06 -1.16 38.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.974 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.07 -95.74 0.12 Allowed Glycine 0 C--O 1.229 -0.203 0 CA-C-N 116.005 -0.543 . . . . 0.0 113.879 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 26' ' ' ARG . 19.2 mtp180 -65.25 -28.81 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 111.367 -175.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.618 ' HB2' ' HB3' ' A' ' 24' ' ' ASN . 89.2 mtt180 -71.29 -14.62 62.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.034 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' B' ' 12' ' ' LEU . 83.4 mt -70.07 -20.28 63.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.806 0.336 . . . . 0.0 110.098 177.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -62.77 -35.46 79.89 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.628 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.4 mt -67.56 -40.81 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.736 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -38.96 88.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 110.113 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 tp -74.3 -38.21 63.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.726 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 77.6 mt -72.64 -18.41 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.207 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.34 61.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.115 0.483 . . . . 0.0 110.066 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -80.13 -40.02 28.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.491 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.67 178.59 39.85 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.612 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -83.89 146.69 27.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.642 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -146.03 164.55 31.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.002 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.46 151.56 32.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.225 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.45 -41.84 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.558 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 52' ' ' LEU . 34.9 tt0 -59.44 -45.75 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.098 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.27 83.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.735 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.45 -47.26 92.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.46 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.8 72.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.7 m -59.39 -47.1 86.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.268 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.99 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.948 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.86 -11.02 34.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 111.664 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.41 19.1 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.653 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.3 mtm -126.9 162.19 26.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -77.83 158.04 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 42' ' ' GLU . 10.9 mp -58.83 -44.69 90.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.912 0.386 . . . . 0.0 111.099 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -61.95 -44.76 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 110.901 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -60.88 -47.33 86.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.037 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.88 94.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.685 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.6 m -59.87 -37.5 79.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -44.1 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 0.0 110.628 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -64.37 -40.08 95.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 30' ' ' ILE . 88.9 mt -67.25 -36.64 82.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.141 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.07 -40.19 88.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.708 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.84 76.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.572 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 27' ' ' ARG . 95.7 mt -63.52 -36.82 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -69.22 -36.33 77.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.405 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.2 m -74.88 -19.18 60.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.697 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 -16.91 73.15 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.99 13.33 56.58 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.95 -41.37 14.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.657 0.265 . . . . 0.0 111.485 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.6 m -122.28 162.22 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.076 0.465 . . . . 0.0 111.738 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.876 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -133.28 155.58 49.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.01 177.404 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.34 126.26 44.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' HG3' ' A' ' 38' ' ' GLU . 15.5 mtm180 -98.11 126.12 43.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -82.75 95.17 7.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.85 108.67 19.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.712 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.58 -125.14 28.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.373 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -105.64 11.17 32.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.624 0.726 . . . . 0.0 109.724 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -111.91 148.2 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.106 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -102.3 116.04 31.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.472 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -102.68 116.76 33.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.74 149.51 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.548 ' HG2' ' H ' ' A' ' 81' ' ' ILE . 35.5 ttp180 -158.63 172.0 19.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.548 ' H ' ' HG2' ' A' ' 80' ' ' ARG . 54.5 mt -57.53 137.19 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.876 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -47.04 -49.81 20.65 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.602 0.564 . . . . 0.0 112.162 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.57 169.56 32.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 40.3 tt0 -64.61 -31.23 72.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.121 0.46 . . . . 0.0 110.009 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.89 -45.86 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.216 0.532 . . . . 0.0 109.693 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.93 -34.1 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.146 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.77 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.055 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 9.9 mmm-85 -69.58 -33.76 73.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.94 -47.03 79.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.082 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.86 -33.88 77.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 110.443 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.32 -41.18 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.889 0.376 . . . . 0.0 110.183 175.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.22 -51.6 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.474 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.508 HG12 HD11 ' B' ' 89' ' ' LEU . 33.1 m -64.56 -30.53 50.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.339 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -72.69 -43.19 63.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.093 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 73.2 t -63.83 -46.79 93.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.504 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.4 -36.27 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 120.65 0.262 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.85 70.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 110.409 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.8 -50.25 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.272 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.168 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -28.43 64.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.009 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.388 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 15' ' ' VAL . 92.1 mt -67.67 -43.56 79.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 28' ' ' LEU . 70.5 mt -65.02 -33.97 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.349 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.64 -40.0 94.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 11' ' ' LEU . 93.6 t -63.64 -38.91 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.995 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.54 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.831 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.517 HH21 ' HA3' ' B' ' 66' ' ' GLY . 16.3 ttp180 -58.26 -47.94 81.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.312 0.577 . . . . 0.0 109.459 178.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.637 HG13 HD21 ' B' ' 67' ' ' LEU . 62.7 t -63.41 -47.49 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.473 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.99 -40.22 93.02 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.744 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -70.17 -26.17 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.595 0.235 . . . . 0.0 111.068 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.58 -30.99 66.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.345 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.536 HD22 HD11 ' B' ' 67' ' ' LEU . 3.9 mm? -82.43 -17.51 45.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.209 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.65 48.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 111.66 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -135.86 -175.34 3.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.908 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.41 -55.17 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.005 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.37 -26.6 66.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.164 0.507 . . . . 0.0 110.648 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.42 ' HB3' HD21 ' B' ' 62' ' ' LEU . 99.3 mtt180 -83.4 -18.47 38.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.295 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.34 -29.19 42.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.3 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.87 -28.21 67.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.429 0.633 . . . . 0.0 109.654 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.504 HG12 HG21 ' B' ' 48' ' ' THR . 66.0 mt -66.79 -40.08 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.544 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.98 -41.46 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -26.46 64.09 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.839 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.53 -36.07 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.542 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' B' ' 39' ' ' ARG . 96.1 mt -84.03 -10.55 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.13 70.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.936 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -91.9 15.51 12.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.13 159.18 9.82 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.803 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' B' ' 80' ' ' ARG . 8.7 pt-20 -74.13 136.34 42.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.77 -0.215 . . . . 0.0 110.671 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' HD23 ' B' ' 34' ' ' LEU . 18.0 mtp180 -134.64 162.23 32.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.678 0.275 . . . . 0.0 110.354 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -78.36 159.34 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.518 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 77' ' ' GLN . 59.6 t -54.31 -43.41 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.288 -178.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.483 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.3 mp0 -58.72 -43.8 90.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.46 80.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.56 -51.65 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.614 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.48 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.32 -178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -58.0 -50.77 72.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.26 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.504 HG21 HG12 ' B' ' 30' ' ' ILE . 20.3 p -87.86 -18.71 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.584 0.23 . . . . 0.0 111.431 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.9 21.29 47.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.164 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -119.13 158.54 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -78.77 158.26 28.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 42' ' ' GLU . 93.9 mt -50.04 -46.71 53.27 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.522 0.514 . . . . 0.0 111.934 -175.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -60.27 -49.3 78.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.673 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -70.31 -37.22 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.882 0.373 . . . . 0.0 110.983 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.27 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.533 ' HA ' HD12 ' B' ' 59' ' ' LEU . 15.9 p -65.57 -32.99 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.05 97.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.747 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -74.84 -30.47 61.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.739 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' B' ' 56' ' ' SER . 56.6 mt -63.47 -41.52 98.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.231 173.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.16 -36.84 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.618 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.91 93.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' B' ' 27' ' ' ARG . 96.0 mt -67.79 -29.72 68.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 0.0 110.281 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -68.84 -42.81 76.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.725 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 7.4 p -71.52 -20.62 62.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.401 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.3 -28.93 62.98 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 171.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . 0.517 ' HA3' HH21 ' B' ' 17' ' ' ARG . . . 99.82 24.27 10.06 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.451 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.637 HD21 HG13 ' B' ' 18' ' ' VAL . 8.4 mt -98.78 -43.82 6.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 111.132 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.39 161.42 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.236 0.541 . . . . 0.0 111.513 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -130.96 164.08 26.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.772 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -118.84 136.88 53.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 0.0 111.25 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -132.05 113.03 12.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.141 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -78.95 128.8 33.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.059 0.457 . . . . 0.0 110.422 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.25 107.85 7.9 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.69 -121.62 12.76 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.124 -171.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -102.77 -4.1 25.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 109.938 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -94.11 151.19 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.478 ' O ' HG23 ' B' ' 41' ' ' VAL . 63.2 tt0 -116.59 116.49 27.68 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.465 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 83.7 m-85 -98.52 133.05 43.42 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.278 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.42 ' CD1' HD13 ' B' ' 59' ' ' LEU . 42.1 m-85 -106.62 131.87 53.27 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.029 0.443 . . . . 0.0 110.057 176.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.45 ' CB ' ' HB3' ' B' ' 38' ' ' GLU . 4.3 ptm180 -133.04 166.49 22.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.77 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 55.6 mt -74.77 135.64 26.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.45 66.49 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -174.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.45 173.62 41.89 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.468 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.99 -28.72 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.258 0.551 . . . . 0.0 110.438 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.45 -48.89 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.678 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 52.2 t -67.71 -38.51 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.523 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.12 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.838 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -65.2 -33.47 76.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.508 HD11 HG12 ' A' ' 93' ' ' VAL . 5.8 tt -60.27 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.047 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -65.24 -38.23 89.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.492 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.458 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.62 -46.38 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 96' ' ' VAL . 47.4 tp -63.26 -50.68 69.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.61 -31.45 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.763 0.316 . . . . 0.0 110.873 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.4 -44.13 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 109.955 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.9 t -63.81 -42.79 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.442 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 92' ' ' LEU . 91.1 t -55.32 -48.42 76.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.694 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.98 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.1 -50.36 74.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.04 -176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -72.2 -13.36 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.945 0.402 . . . . 0.0 111.167 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 . . . . . 0 C--N 1.329 -0.316 0 O-C-N 122.221 -0.3 . . . . 0.0 111.057 177.905 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 . . . . . 0 C--O 1.233 0.233 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.51 -23.22 61.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.163 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -33.29 70.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.257 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.03 83.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -76.52 -36.08 57.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.045 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.44 -40.92 89.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.69 -36.41 83.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.698 0.285 . . . . 0.0 110.428 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -58.13 -54.83 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.681 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.4 -29.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.718 0.294 . . . . 0.0 111.233 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -33.3 70.86 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.38 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -62.47 -42.03 99.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.21 -51.8 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.273 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.73 -25.88 71.88 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.773 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.35 -34.25 67.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.806 0.336 . . . . 0.0 110.682 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.31 -25.9 33.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.18 0.514 . . . . 0.0 109.9 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -35.61 72.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.642 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB1' ' HG2' ' B' ' 20' ' ' LYS . . . -80.14 20.66 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.034 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.98 -37.04 22.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.07 -62.1 4.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.95 0.405 . . . . 0.0 111.16 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HB3' HD21 ' A' ' 62' ' ' LEU . 42.4 mtm-85 -71.19 -10.04 59.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.832 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.738 0.304 . . . . 0.0 110.433 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -65.22 -28.93 69.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.043 0.449 . . . . 0.0 110.273 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.6 mt -72.61 -44.57 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.994 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.78 -39.62 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.25 -36.98 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.954 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 58.9 tp -74.74 -41.52 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.37 -4.85 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.312 -177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 -15.01 63.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.246 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.7 pt20 -99.3 -7.27 26.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.316 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.55 -133.51 4.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.055 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 9.1 pt-20 -123.52 137.05 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.064 0.459 . . . . 0.0 111.005 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 39' ' ' ARG . 11.8 mmt180 -137.68 147.57 44.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -70.03 152.24 44.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.467 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.1 t -53.7 -42.49 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 mp0 -59.3 -39.25 82.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.642 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.11 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.581 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 40' ' ' ALA . 80.9 mt -60.38 -44.28 95.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.24 -57.09 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.006 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.1 m -62.72 -39.32 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.6 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.74 73.1 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.9 p -95.76 -9.89 30.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 0.0 111.361 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.52 36.44 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.332 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.412 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 75.6 mtm -115.78 169.79 8.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -94.79 166.61 11.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 96.0 mt -53.99 -42.33 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.311 0.382 . . . . 0.0 110.876 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 p -57.06 -54.99 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.549 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.412 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 3.1 m -63.29 -42.54 99.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.223 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.64 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.242 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.0 t -61.32 -38.31 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.234 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.83 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.36 -35.25 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.152 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.25 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -64.82 -40.81 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 109.982 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.67 85.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.647 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 98.7 mt -73.65 -7.59 52.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.233 177.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 33.3 ttmt -78.11 -69.67 0.54 Allowed 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -47.92 -43.15 28.76 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.032 -175.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.92 20.82 3.21 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.908 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.647 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -115.28 -19.06 5.98 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 119.861 -1.161 . . . . 0.0 111.814 -176.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 67' ' ' LEU . 6.2 mt 76.33 40.69 0.23 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.711 169.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 62' ' ' LEU . 27.2 m -120.5 148.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 173.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.77 176.89 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.782 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 78' ' ' TYR . . . -139.83 142.36 36.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -127.18 133.89 50.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.177 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -87.78 103.78 15.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.481 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.18 89.77 3.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.826 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.8 -96.85 0.03 OUTLIER Glycine 0 C--N 1.33 0.205 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.937 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -91.64 -21.41 20.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.873 0.368 . . . . 0.0 111.451 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -113.89 167.61 10.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.184 0.516 . . . . 0.0 111.478 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 35.5 tt0 -124.68 114.42 19.3 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.6 m-85 -96.53 133.39 41.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.38 149.92 30.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 18.8 ptt180 -161.48 166.39 27.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -177.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.3 134.64 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -65.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.553 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.35 164.29 17.78 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.415 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -69.71 -26.48 64.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.82 -35.75 81.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.09 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 67' ' ' LEU . 60.4 t -65.49 -44.44 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.113 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.429 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.5 mtm105 -66.12 -30.24 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.468 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.45 -50.38 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.99 -31.61 70.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.328 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -72.22 -33.6 67.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 177.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.88 -46.73 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.402 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.34 -29.02 46.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.631 ' HA ' HD11 ' B' ' 11' ' ' LEU . 29.3 tt0 -65.17 -41.39 94.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.051 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.5 t -60.79 -44.52 97.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 110.323 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.5 -49.92 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.435 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' B' ' 11' ' ' LEU . . . -66.61 -48.44 69.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.134 -176.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -55.5 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.001 0.429 . . . . 0.0 112.098 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -169.088 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 23.7 ttmm . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 120.726 0.298 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.66 92.05 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.639 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -31.51 72.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.725 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' A' ' 94' ' ' GLN . 22.9 tp -64.03 -53.26 52.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.847 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.39 -35.45 79.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.267 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.61 -45.6 71.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.232 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -69.92 -39.5 76.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.318 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.21 -30.48 48.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.531 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -66.43 -40.32 89.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.185 174.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -57.71 -47.0 83.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.732 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.534 HG13 HD21 ' B' ' 67' ' ' LEU . 58.3 t -60.93 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.568 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -45.79 95.18 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.531 ' HG2' ' HB1' ' A' ' 23' ' ' ALA . 59.9 mtpt -64.4 -25.58 68.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.544 0.211 . . . . 0.0 111.406 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.5 -39.57 62.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.4 -36.23 34.12 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.185 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.82 97.53 0.35 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.045 0.45 . . . . 0.0 110.821 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -166.27 -43.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.338 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.52 -59.12 0.94 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.427 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -68.64 -25.83 65.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 111.422 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -74.86 -16.71 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.34 -22.81 60.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.308 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -62.79 -33.29 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.168 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 58.9 mt -70.55 -42.74 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.141 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.03 -39.21 93.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.83 -32.86 73.21 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.608 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.72 -46.66 21.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.007 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 51.7 mt -69.46 -15.73 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.822 0.344 . . . . 0.0 111.711 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.59 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.506 . . . . 0.0 110.134 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -91.43 -7.41 50.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.929 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.43 -178.01 22.64 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.354 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.5 OUTLIER -87.31 122.92 31.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.167 179.054 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.486 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -119.66 141.48 49.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.185 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -69.19 159.23 33.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.45 -40.94 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 110.916 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.515 ' HG3' HD21 ' B' ' 52' ' ' LEU . 2.2 mp0 -59.38 -44.71 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.08 72.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.968 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -58.72 -43.77 88.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.26 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.4 -45.25 84.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.061 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.3 m -63.11 -47.99 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.363 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -26.51 64.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.096 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.488 ' HB ' ' SD ' ' B' ' 50' ' ' MET . 26.1 p -93.96 -10.6 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.685 0.279 . . . . 0.0 111.465 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.23 34.7 60.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.079 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.488 ' SD ' ' HB ' ' B' ' 48' ' ' THR . 2.0 mtp -130.15 175.15 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -178.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -83.5 162.51 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' B' ' 42' ' ' GLU . 9.6 mp -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.9 t -60.51 -43.63 96.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.599 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 3.8 m -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.153 0.501 . . . . 0.0 110.476 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.37 69.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' B' ' 59' ' ' LEU . 65.6 p -65.14 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.529 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.227 0.537 . . . . 0.0 110.265 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.09 -37.78 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.19 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 56' ' ' SER . 86.8 mt -62.85 -39.59 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.618 177.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.09 -42.15 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.338 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.03 85.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 99.6 mt -65.75 -34.74 78.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -69.26 -38.65 78.52 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -65.71 -37.44 86.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.76 -23.21 76.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.404 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.19 17.79 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.725 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.534 HD21 HG13 ' B' ' 18' ' ' VAL . 21.4 mt -99.1 -26.32 14.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.95 145.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.538 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 68.0 mm-40 -112.07 151.17 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.972 176.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' B' ' 79' ' ' TYR . . . -117.92 109.8 16.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.406 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -116.99 130.35 56.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.229 0.538 . . . . 0.0 109.926 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' B' ' 72' ' ' ARG . 28.6 ttt180 -100.51 140.11 35.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.009 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.52 128.71 37.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 175.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.79 -99.41 0.3 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.63 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -131.35 4.85 4.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.634 0.254 . . . . 0.0 110.872 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -106.94 141.4 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.957 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -99.13 111.3 23.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 94.4 m-85 -96.19 131.05 43.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' B' ' 70' ' ' ALA . 26.1 m-85 -104.88 146.06 29.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.965 0.412 . . . . 0.0 110.543 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 2.9 tmm_? -155.97 162.17 40.39 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.48 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 64.6 mt -53.39 131.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.171 0.294 . . . . 0.0 110.267 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.52 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -55.32 -51.89 65.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.78 -178.68 25.86 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.923 -1.132 . . . . 0.0 112.994 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.36 -32.62 73.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 0.0 110.112 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -69.11 -41.27 77.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.802 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.526 HG13 HD22 ' B' ' 67' ' ' LEU . 59.5 t -67.88 -40.02 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.21 94.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.54 ' HA ' ' HB3' ' B' ' 91' ' ' ALA . 62.4 mtt180 -86.64 -8.64 57.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.89 -50.85 46.12 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.23 -33.89 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.951 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' B' ' 88' ' ' ARG . . . -66.63 -46.85 74.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.042 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.5 -45.39 87.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.303 -176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.432 ' HA ' HG12 ' B' ' 96' ' ' VAL . 11.4 p -63.78 -29.71 48.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.14 0.495 . . . . 0.0 109.986 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.86 -45.36 78.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.131 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 87.4 t -63.71 -46.29 95.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.529 -178.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 93' ' ' VAL . 13.4 p -65.29 -31.47 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.61 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.93 -43.32 58.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.958 0.409 . . . . 0.0 109.898 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.13 -50.04 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.441 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.59 -51.19 63.78 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.345 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 . . . . . 0 C--N 1.326 -0.422 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.191 -174.286 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 6.1 ptt180 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -57.32 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.05 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -29.82 70.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -36.81 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 91.5 mt -74.68 -38.68 62.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.955 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.45 -41.74 97.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.056 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.18 -42.86 91.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.89 -44.92 88.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.38 -44.78 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.33 79.04 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.913 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -58.16 -45.84 86.73 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.85 -50.35 80.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.56 84.6 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.035 -0.603 . . . . 0.0 112.4 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.57 -38.08 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.11 -20.67 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -3.85 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.581 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' C ' HD22 ' A' ' 24' ' ' ASN . . . -83.49 21.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.585 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.527 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -117.74 145.96 44.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.39 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.86 -60.27 1.09 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.68 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 26' ' ' ARG . 17.4 mtp180 -70.5 -19.53 62.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.875 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -74.1 -22.4 59.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.877 0.37 . . . . 0.0 110.594 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 88.2 mt -69.85 -21.77 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.96 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.537 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.6 mt-30 -58.64 -35.74 72.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.928 0.394 . . . . 0.0 110.402 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 58.6 mt -70.82 -42.6 77.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.623 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.04 -38.59 83.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.69 -47.62 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.365 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 79.9 mt -60.39 -38.9 85.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.9 mt -77.17 -19.86 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.245 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.49 -27.37 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.351 0.596 . . . . 0.0 109.715 174.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.23 -40.03 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.573 175.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.18 164.9 35.65 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.244 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 1.3 pm0 -77.69 109.13 11.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.267 0.556 . . . . 0.0 110.094 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 88.5 mtt180 -111.13 144.19 40.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.322 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 77' ' ' GLN . . . -72.33 152.58 42.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.245 176.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.66 -45.35 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 O-C-N 123.608 0.567 . . . . 0.0 111.366 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HG2' HD11 ' A' ' 52' ' ' LEU . 42.1 mt-10 -63.58 -41.07 98.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.25 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.801 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.3 -43.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.335 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.44 63.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.857 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.7 m -58.3 -48.53 80.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.59 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.25 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 p -84.02 -17.6 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.705 0.288 . . . . 0.0 111.386 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.85 26.84 40.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.87 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.9 mtm -118.76 170.88 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.63 164.58 14.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD11 ' HG2' ' A' ' 42' ' ' GLU . 4.4 mm? -57.17 -43.25 82.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.515 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 t -57.36 -39.15 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.346 . . . . 0.0 111.079 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -73.94 -45.4 50.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 110.529 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -63.19 -48.66 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.328 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 43.3 p -64.81 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.374 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.81 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 0.0 110.857 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -68.58 -33.43 74.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.804 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 86.3 mt -66.92 -37.65 84.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.144 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 56' ' ' SER . 86.4 mt-30 -64.78 -34.25 77.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.102 176.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 -29.37 62.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.741 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.865 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 97.3 mt -86.03 -8.03 58.22 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 68' ' ' VAL . 24.8 tptp -78.04 -69.61 0.54 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 168.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -47.46 -49.9 24.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.157 -174.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.9 25.92 3.32 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.04 -1.076 . . . . 0.0 112.417 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.865 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -111.47 -22.56 6.05 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 119.719 -1.229 . . . . 0.0 112.054 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.66 ' HB2' HG11 ' A' ' 86' ' ' VAL . 6.8 mt 78.32 36.0 0.23 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.985 -0.607 . . . . 0.0 111.683 168.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 81' ' ' ILE . 35.1 m -120.01 160.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 174.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -120.73 166.45 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.2 126.31 43.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.331 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.54 129.59 52.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.553 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 41.9 mtm180 -93.66 130.93 39.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.321 0.582 . . . . 0.0 112.233 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 31.7 tt0 -112.77 97.81 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.814 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.88 -98.79 0.37 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.359 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 m -103.64 -18.27 14.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 111.227 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -100.59 152.23 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 112.015 -172.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.553 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 51.4 mt-30 -108.83 121.57 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.439 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 22.5 m-85 -104.67 126.44 51.76 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.445 ' O ' HD22 ' A' ' 34' ' ' LEU . 15.6 m-85 -100.96 146.19 27.71 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.662 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.11 153.49 34.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.225 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.554 HD13 HG12 ' A' ' 68' ' ' VAL . 31.7 mm -59.67 132.28 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.61 85.92 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.7 162.96 28.3 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.394 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -29.51 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.352 0.596 . . . . 0.0 109.495 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' OD2' HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -54.2 -57.82 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.059 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 67' ' ' LEU . 60.8 t -59.35 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.075 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.72 93.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -77.26 -21.97 52.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.402 HD12 HD22 ' B' ' 92' ' ' LEU . 8.0 tt -64.07 -45.03 90.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 173.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 63.8 t80 -68.38 -37.46 80.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.374 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -64.96 -38.57 91.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.857 0.36 . . . . 0.0 110.705 176.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.64 -47.39 85.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.598 ' HA ' HG12 ' A' ' 96' ' ' VAL . 34.8 m -68.09 -29.2 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.198 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 90' ' ' PHE . 53.9 mt-30 -67.42 -40.93 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.934 0.397 . . . . 0.0 110.359 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 91' ' ' ALA . 86.8 t -70.71 -46.77 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.181 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 93' ' ' VAL . 8.4 p -62.56 -29.7 47.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.868 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.52 -46.03 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.66 -47.83 79.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.877 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.479 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.496 0.189 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.85 -42.24 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.35 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.202 0.525 . . . . 0.0 110.825 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.469 ' O ' HG23 ' B' ' 15' ' ' VAL . 93.5 mt -72.43 -40.83 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.985 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.99 -33.81 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.65 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.99 -46.75 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.479 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -64.65 -42.39 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 11' ' ' LEU . 73.3 t -60.0 -48.18 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.248 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.87 70.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.287 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.58 -38.76 74.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.973 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.746 HG13 HD11 ' B' ' 67' ' ' LEU . 95.9 t -63.42 -48.86 85.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.094 175.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.31 -34.7 90.68 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.295 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -66.29 -29.72 70.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.422 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -74.0 -32.68 63.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.043 0.449 . . . . 0.0 110.208 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tp -88.13 20.33 3.24 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.864 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.19 16.32 18.5 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.515 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 32.1 p30 -151.86 169.8 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.166 176.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.6 -46.88 4.46 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -165.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -69.99 -22.61 63.11 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 117.759 0.779 . . . . 0.0 112.111 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -76.53 -19.63 57.74 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.916 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 76.6 mt -76.5 -31.59 57.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 175.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' B' ' 48' ' ' THR . 47.2 tt0 -59.97 -35.18 74.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.323 176.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.9 mt -65.09 -47.93 85.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.132 174.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.23 -36.35 79.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.119 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.65 -43.12 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.91 -33.6 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.417 HD21 HD11 ' B' ' 44' ' ' ILE . 80.3 mt -79.45 -5.28 54.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.501 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.53 -4.7 28.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.342 0.591 . . . . 0.0 110.261 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.53 -12.04 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.441 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.28 -109.15 1.22 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.276 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.616 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 20.5 mt-10 -118.17 113.37 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.775 0.322 . . . . 0.0 110.42 -175.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' B' ' 39' ' ' ARG . 54.5 mmt-85 -120.59 146.39 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.644 0.259 . . . . 0.0 110.723 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.31 149.09 46.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.689 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.56 -37.53 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' B' ' 52' ' ' LEU . 48.5 mt-10 -60.81 -40.76 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.35 -41.24 76.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.417 HD11 HD21 ' B' ' 34' ' ' LEU . 79.6 mt -58.72 -50.31 79.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.66 177.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.27 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.395 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -65.86 -47.26 75.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 -178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -29.78 69.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.661 -176.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.464 ' HA ' ' NE2' ' B' ' 29' ' ' GLN . 23.3 p -92.4 -5.71 51.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.624 -177.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 35.58 79.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.55 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB3' ' HB ' ' B' ' 54' ' ' THR . 78.4 mtm -123.43 175.12 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.69 0.281 . . . . 0.0 110.277 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.32 169.02 11.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' B' ' 42' ' ' GLU . 4.4 mm? -62.02 -39.91 93.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -60.67 -49.75 76.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.636 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' B' ' 50' ' ' MET . 2.0 m -61.98 -45.16 94.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.42 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -60.34 -38.51 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.335 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.43 83.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.866 0.365 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -68.9 -38.07 79.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.79 -48.44 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 177.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLN . . . . . 0.482 ' HA ' ' HB3' ' B' ' 63' ' ' LYS . 26.0 tt0 -65.7 -26.22 67.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -176.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.06 -48.42 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.422 HD23 ' HB1' ' B' ' 21' ' ' ALA . 69.1 mt -67.11 -32.02 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.879 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HB3' ' HA ' ' B' ' 60' ' ' GLN . 88.4 tttt -64.15 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.727 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -72.49 -24.55 61.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.283 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.8 88.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.328 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.97 21.53 73.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.839 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.746 HD11 HG13 ' B' ' 18' ' ' VAL . 6.7 mp -90.3 -45.15 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.516 0.198 . . . . 0.0 111.486 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -129.06 154.74 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.71 0.291 . . . . 0.0 111.436 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.414 ' HG3' ' HB2' ' B' ' 82' ' ' ALA . 31.1 mt-10 -137.6 161.77 35.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.094 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.47 143.46 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.271 0.558 . . . . 0.0 111.84 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.823 ' HB3' ' HB2' ' B' ' 78' ' ' TYR . 21.4 ttt180 -116.97 105.79 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.976 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.04 98.51 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -117.71 115.58 25.33 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.93 -102.12 1.39 Allowed Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.9 t -130.24 -4.09 4.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.001 0.429 . . . . 0.0 110.621 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -104.66 156.27 18.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.055 0.455 . . . . 0.0 111.219 -174.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -105.27 113.44 27.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.823 ' HB2' ' HB3' ' B' ' 71' ' ' ARG . 77.2 m-85 -90.95 157.13 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.607 171.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -130.78 140.76 50.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.616 ' HD2' ' HG2' ' B' ' 38' ' ' GLU . 15.0 ptm180 -144.34 162.07 37.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.84 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.65 129.86 31.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' B' ' 69' ' ' GLU . . . -53.13 -70.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.749 0.656 . . . . 0.0 111.907 -172.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.22 157.59 15.88 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.686 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -70.22 -25.04 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.22 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' B' ' 67' ' ' LEU . 25.7 t -66.41 -38.87 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.177 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.21 99.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.501 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.17 -29.35 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.951 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.32 -44.79 95.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.386 . . . . 0.0 109.974 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.46 -42.25 98.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.545 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.31 -38.49 81.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 89' ' ' LEU . 6.6 tt -61.41 -50.5 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.361 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.0 -32.23 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.306 . . . . 0.0 110.581 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -61.4 -43.98 97.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.147 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 91' ' ' ALA . 62.2 t -57.37 -53.42 44.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.852 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.13 -46.71 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.96 -54.12 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.489 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -69.62 -48.88 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.471 -175.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.4 p80 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.8 -176.575 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.7 ttm105 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.272 0.558 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -70.2 -33.1 71.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.112 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.04 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.264 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.37 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.206 0.527 . . . . 0.0 110.722 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.2 mt -73.2 -41.61 63.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.415 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.43 -28.93 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.27 -42.68 99.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.24 -41.32 97.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' LEU . 90.3 t -62.16 -52.13 63.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.96 0.409 . . . . 0.0 110.522 177.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 22' ' ' LEU . . . -63.66 -28.05 69.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.713 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -63.65 -40.76 97.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.552 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG13 HD11 ' A' ' 67' ' ' LEU . 84.2 t -64.26 -48.72 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.092 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.39 99.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.161 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -65.51 -27.56 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.6 0.36 . . . . 0.0 111.07 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.05 -11.59 43.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.679 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.0 -10.68 24.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.903 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.77 55.34 2.68 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.688 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.4 t-20 -170.83 110.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.488 176.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.19 78.26 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.407 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -60.94 -38.73 86.89 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.922 0.361 . . . . 0.0 111.756 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 24' ' ' ASN . 9.3 ptp180 -80.28 -24.28 40.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 69.8 mt -73.85 -13.43 60.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -176.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.73 -33.17 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.58 -42.9 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.278 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 34' ' ' LEU . 77.3 mt -66.52 -30.77 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.907 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.9 -36.86 84.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 110.089 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.12 -36.48 47.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.679 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 2.7 mm? -70.21 -27.3 64.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.845 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -17.36 64.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.101 0.477 . . . . 0.0 110.835 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -83.31 -22.74 32.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.315 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.16 -175.43 30.86 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.101 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -72.18 127.04 31.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.133 0.492 . . . . 0.0 110.295 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -119.33 143.32 47.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.738 -173.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -77.5 148.79 35.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 77' ' ' GLN . 57.4 t -53.34 -39.11 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 111.079 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 42.9 mt-10 -61.75 -49.3 76.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.132 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -62.21 -48.99 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.75 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.363 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -57.48 -51.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.71 99.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 23.1 p -81.65 -11.99 58.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.73 36.2 37.99 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.674 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.412 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 23.5 ptp -132.68 175.16 9.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.693 0.246 . . . . 0.0 110.639 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.51 164.84 21.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.79 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 92.0 mt -61.18 -44.22 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -67.18 -31.79 72.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.818 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.7 m -71.27 -45.79 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.237 0.541 . . . . 0.0 110.358 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.49 89.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.077 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.6 p -67.96 -26.89 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.23 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.17 87.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.206 0.527 . . . . 0.0 110.271 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -67.05 -42.9 84.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.078 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.66 -36.29 78.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.732 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.55 -41.94 95.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.157 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.18 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.951 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.84 -28.45 65.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.212 0.53 . . . . 0.0 110.475 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -71.33 -45.36 63.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.321 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -72.24 -26.88 62.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.35 -25.6 74.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.781 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.09 21.82 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.901 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD11 HG13 ' A' ' 18' ' ' VAL . 10.1 mp -96.28 -41.5 8.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.51 155.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.308 0.575 . . . . 0.0 111.912 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.54 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 47.7 mt-10 -110.98 168.38 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.642 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.83 122.53 34.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HB3' ' OE2' ' A' ' 73' ' ' GLU . 17.0 mtp180 -123.96 123.09 39.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.415 175.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -97.06 105.99 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 71' ' ' ARG . 35.7 mm-40 -100.6 104.06 15.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.571 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.87 -112.18 4.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.885 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m -104.44 -13.38 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.965 0.412 . . . . 0.0 110.707 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -102.33 145.51 29.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.518 -176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.0 tt0 -105.89 130.9 53.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.062 0.458 . . . . 0.0 109.935 177.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -112.84 148.56 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.196 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -120.56 139.9 52.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.374 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -142.74 163.03 33.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.401 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.65 135.47 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.54 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.24 -38.32 68.34 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -174.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -169.49 173.71 43.8 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.988 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.09 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.532 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.05 -47.52 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.2 t -66.07 -40.37 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.28 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.641 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -66.21 -32.47 73.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.753 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.8 tp -59.68 -49.38 77.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.378 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.53 -36.8 85.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.477 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -69.65 -40.69 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.1 -38.65 69.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.266 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.69 -29.89 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.055 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -61.32 -43.16 99.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.709 174.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 57.5 t -54.4 -52.96 34.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.076 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.457 176.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.588 HG22 HG22 ' B' ' 86' ' ' VAL . 46.4 t -53.84 -47.27 63.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.897 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' HB1' ' CG ' ' B' ' 14' ' ' GLN . . . -60.14 -50.35 74.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.379 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.9 -43.78 91.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.523 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 95' ' ' VAL . 32.3 mm-40 . . . . . 0 N--CA 1.464 0.275 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.95 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.027 0.441 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.311 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.21 74.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.317 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.09 -32.59 69.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.46 . . . . 0.0 110.48 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.99 -37.24 61.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.571 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.01 -14.73 59.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.822 0.344 . . . . 0.0 110.792 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 7.3 tp60 -76.05 -45.8 32.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.74 -27.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.143 0.497 . . . . 0.0 109.948 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -36.44 82.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.281 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' B' ' 14' ' ' GLN . 39.7 ttt180 -62.03 -38.2 87.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.537 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.37 -50.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.04 -29.46 74.44 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.294 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.76 -39.7 94.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.039 0.447 . . . . 0.0 110.087 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -26.6 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 110.561 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -92.71 21.95 5.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.089 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.26 13.85 33.79 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -170.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.623 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 1.6 p30 -142.78 162.87 34.33 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.734 -0.604 . . . . 0.0 110.173 172.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.66 -48.86 6.01 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -166.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -82.02 -10.63 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -166.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HG2' ' OD1' ' B' ' 24' ' ' ASN . 22.6 ptt180 -91.82 -9.17 44.44 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 118.986 -1.085 . . . . 0.0 109.957 172.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 85.6 mt -73.15 -27.76 61.84 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.89 -31.09 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.081 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 63.2 mt -69.75 -39.37 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 177.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.99 -41.15 97.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.497 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.21 -33.08 74.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.452 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.447 HD22 HG12 ' B' ' 44' ' ' ILE . 10.4 tt -77.27 -28.19 53.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.025 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.584 HD12 HG11 ' B' ' 68' ' ' VAL . 82.2 mt -95.18 -6.93 40.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.314 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.66 -8.92 51.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.147 0.499 . . . . 0.0 110.484 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.86 12.82 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.584 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.16 176.01 14.14 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.982 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.464 ' C ' ' HD2' ' B' ' 39' ' ' ARG . 0.9 OUTLIER -91.57 125.24 36.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.154 0.502 . . . . 0.0 110.623 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.464 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -129.04 150.88 50.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.07 156.71 23.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 t -49.64 -37.79 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 123.6 0.562 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.1 -50.41 74.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.686 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.85 79.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.125 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.7 mt -57.43 -50.5 76.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.28 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.262 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 61.7 m -62.27 -47.6 83.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.72 74.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.679 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -88.19 -7.99 56.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 111.723 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.23 36.56 45.0 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.685 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptp -130.72 178.88 6.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.767 0.283 . . . . 0.0 110.341 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -87.32 154.14 20.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.65 -42.41 88.33 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.573 0.225 . . . . 0.0 111.565 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 28.8 m -66.28 -36.74 83.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.973 0.416 . . . . 0.0 110.337 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -64.48 -47.14 80.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.291 0.567 . . . . 0.0 110.191 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.891 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -62.46 -33.55 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.91 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.13 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.43 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -64.73 -39.92 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.489 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.37 -35.57 81.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.089 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -64.0 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.182 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.76 -45.75 81.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.579 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.35 -36.27 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' B' ' 70' ' ' ALA . 40.1 ttmt -64.46 -44.47 90.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.0 m -67.31 -32.66 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.407 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.95 -17.15 79.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.414 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 20.62 49.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.92 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.51 -40.59 18.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.584 HG11 HD12 ' B' ' 34' ' ' LEU . 27.4 m -133.21 150.27 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 111.731 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -106.09 149.19 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.876 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.409 ' HB2' ' HE2' ' B' ' 63' ' ' LYS . . . -102.93 128.69 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 0.0 110.819 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.65 108.34 11.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.742 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' B' ' 72' ' ' ARG . 48.6 mtt180 -83.76 131.31 34.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 112.52 9.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.59 -102.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.994 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -113.3 -17.24 12.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.188 0.518 . . . . 0.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ARG . . . . . 0.529 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 72.3 mtt180 -98.88 146.57 25.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.16 0.505 . . . . 0.0 111.861 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -100.42 107.88 19.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.529 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 97.4 m-85 -92.12 146.59 23.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.267 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.488 ' HB3' HD13 ' B' ' 34' ' ' LEU . 42.8 m-85 -122.01 143.04 49.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.192 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 18.9 ttm-85 -145.09 154.78 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.487 HD13 HG12 ' B' ' 68' ' ' VAL . 43.8 mm -51.67 134.09 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.11 62.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.284 -173.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.33 152.46 24.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.0 -31.94 73.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.067 0.434 . . . . 0.0 110.251 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -35.7 81.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 96' ' ' VAL . 36.1 t -69.8 -37.33 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.174 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 110.205 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.04 -25.26 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.993 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.53 -35.16 79.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.317 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.514 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.99 -43.17 75.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.837 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 60.6 tp -57.47 -51.23 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.216 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.513 ' HA ' HG12 ' B' ' 96' ' ' VAL . 10.5 p -66.47 -29.4 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.651 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -68.01 -45.94 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.176 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 85.0 t -66.26 -45.65 89.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.216 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 93' ' ' VAL . 8.0 p -61.44 -32.86 54.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.589 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.34 -46.31 28.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.021 0.438 . . . . 0.0 110.588 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.74 -37.41 84.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -85.09 -41.64 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.459 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -171.946 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 . . . . . 0 N--CA 1.457 -0.119 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -55.33 -28.7 55.45 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.275 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.91 69.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.118 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.4 71.85 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.088 0.471 . . . . 0.0 110.618 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD21 ' HG3' ' B' ' 94' ' ' GLN . 10.5 tt -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.54 -26.08 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.538 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.1 -50.75 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.765 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.4 tp-100 -67.26 -40.61 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.374 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -59.68 -44.56 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.26 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.707 ' HA ' ' O ' ' B' ' 23' ' ' ALA . . . -62.23 -35.74 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.115 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.609 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 37.7 ttm105 -73.21 -32.33 64.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.725 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 67' ' ' LEU . 70.1 t -73.29 -47.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.19 175.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.17 -41.67 99.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.686 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -59.75 -39.11 83.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 110.538 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.82 61.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.117 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.55 -32.67 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.282 0.563 . . . . 0.0 110.3 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.34 101.16 4.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -162.93 -67.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.73 176.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 -85.24 0.38 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.349 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -73.15 -28.34 62.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HD3' ' OD1' ' A' ' 58' ' ' ASN . 50.7 ttp85 -70.24 -15.81 62.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.288 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.0 -17.48 60.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.169 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.34 -24.86 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 109.982 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -69.97 -36.87 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.961 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.13 -34.97 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.9 -30.79 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' HG2' ' A' ' 39' ' ' ARG . 6.9 tt -79.45 -45.14 19.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.955 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.27 -11.23 60.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.46 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.01 -14.61 62.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -82.15 -20.42 37.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.149 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.96 -155.18 23.68 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.626 ' HG3' ' HB3' ' A' ' 80' ' ' ARG . 26.9 tt0 -86.91 115.79 24.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HG2' HD21 ' A' ' 33' ' ' LEU . 6.6 tpt180 -125.97 147.97 49.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.804 -171.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 156.11 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.041 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.42 -41.16 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.827 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 1.8 mp0 -58.74 -45.71 89.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.344 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.04 97.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.876 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.4 -48.98 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.547 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.69 -50.89 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.088 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -59.66 -49.04 79.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.093 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.09 77.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -81.33 -19.52 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.228 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.87 15.97 57.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.328 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -114.32 176.4 5.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.679 0.275 . . . . 0.0 110.532 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -88.15 168.85 12.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.39 -46.65 87.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.805 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 t -67.31 -28.26 67.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 110.436 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -71.45 -46.19 60.64 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.382 0.61 . . . . 0.0 109.933 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.8 77.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 p -66.24 -31.11 71.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.48 96.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.522 ' OD1' ' HD3' ' A' ' 27' ' ' ARG . 34.9 m-80 -72.37 -35.37 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.424 HD23 HD12 ' A' ' 62' ' ' LEU . 78.9 mt -65.1 -36.98 86.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 176.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.883 176.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.56 91.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.764 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.424 HD12 HD23 ' A' ' 59' ' ' LEU . 87.3 mt -63.44 -41.62 98.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.723 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -68.87 -36.28 77.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.547 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.8 m -63.78 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.609 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -77.73 -26.81 60.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.039 175.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.97 21.04 11.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.519 HD11 HG13 ' A' ' 18' ' ' VAL . 1.4 mp -94.49 -40.45 9.88 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 m -123.77 163.41 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.278 0.561 . . . . 0.0 112.171 -174.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -126.69 172.8 10.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.868 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -144.9 132.66 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.858 0.361 . . . . 0.0 111.021 -177.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' HD3' HH11 ' A' ' 71' ' ' ARG . 59.6 mtt-85 -124.64 121.78 35.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.034 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -81.0 96.76 7.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 174.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -109.83 129.61 55.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.01 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.68 -101.14 0.97 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.441 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 m -131.86 1.82 3.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 0.0 110.485 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 42' ' ' GLU . 57.0 mtt180 -119.27 168.79 10.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.036 -175.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -102.66 122.55 44.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.713 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 55.6 m-85 -108.3 124.99 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 27.1 m-85 -100.52 148.05 25.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.266 0.555 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.626 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . 6.2 ptm180 -144.75 169.85 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.938 -175.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.11 140.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 39.26 0.46 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 143.13 138.25 3.4 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.93 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.66 -30.05 70.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 110.149 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.1 -34.7 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.492 . . . . 0.0 109.948 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.0 -35.5 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.868 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.46 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -72.73 -20.33 61.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.67 -49.54 74.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -66.55 -37.47 85.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.44 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.95 -44.84 91.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.45 -51.25 70.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.896 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.09 -30.14 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 110.925 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -69.35 -40.59 77.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.331 . . . . 0.0 110.207 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.1 t -63.19 -47.19 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.431 176.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.67 -39.66 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 176.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.1 78.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.767 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.61 -48.52 74.57 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.122 0.487 . . . . 0.0 110.741 -176.63 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' B' ' 12' ' ' LEU . 18.1 ptpt . . . . . 0 N--CA 1.461 0.079 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.798 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.73 -30.36 62.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 110.278 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 15' ' ' VAL . 9.9 mp -74.26 -41.55 61.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 8' ' ' LYS . 89.2 mt -62.54 -35.87 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.351 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 21.3 t70 -63.39 -43.02 98.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.487 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.07 -45.21 94.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.953 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 11' ' ' LEU . 86.9 t -59.42 -39.52 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.299 176.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.55 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 57.3 mtt180 -65.37 -42.31 92.85 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 109.964 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 67' ' ' LEU . 91.3 t -62.09 -42.92 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.662 174.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.28 -26.47 71.66 Favored Glycine 0 C--O 1.221 -0.697 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.014 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.96 -30.83 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.299 0.55 . . . . 0.0 110.859 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' B' ' 62' ' ' LEU . . . -77.05 -42.06 39.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 109.913 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.483 ' HB2' HD21 ' B' ' 67' ' ' LEU . 33.0 tp -90.15 19.54 4.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.242 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 16' ' ' ALA . . . -69.01 -81.18 0.04 OUTLIER 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.53 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.412 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . 29.8 p30 -146.88 178.78 8.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.145 0.498 . . . . 0.0 111.762 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.66 173.91 30.83 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.345 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -70.89 -3.17 17.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.99 0.424 . . . . 0.0 110.672 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.565 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 76.9 mtm180 -58.55 -35.6 72.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' B' ' 31' ' ' LEU . 66.1 mt -66.65 -33.44 75.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.854 177.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -66.75 -36.29 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.677 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.5 HG12 HG21 ' B' ' 48' ' ' THR . 67.2 mt -66.23 -39.65 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.263 177.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 28' ' ' LEU . 96.0 mt -56.58 -46.74 80.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.193 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 19.9 t70 -62.0 -41.38 97.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.497 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.401 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 30.6 tp -63.6 -33.42 75.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.456 HD12 HG11 ' B' ' 68' ' ' VAL . 69.3 mt -85.49 -19.2 31.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.403 . . . . 0.0 111.024 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 -26.66 60.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 109.848 174.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 74.8 mt-30 -69.52 -27.95 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.672 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.88 171.87 33.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.288 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.51 ' HG3' ' HB2' ' B' ' 80' ' ' ARG . 25.3 tt0 -75.37 125.6 29.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.401 ' NE ' ' HG ' ' B' ' 33' ' ' LEU . 26.9 ttm-85 -135.06 137.23 42.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.128 0.49 . . . . 0.0 111.468 -171.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -77.78 151.83 33.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.687 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.43 -46.67 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 O-C-N 123.484 0.49 . . . . 0.0 112.099 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.438 ' HG2' HD21 ' B' ' 52' ' ' LEU . 38.3 mt-10 -58.53 -41.91 86.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.371 . . . . 0.0 111.117 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.02 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.7 mt -58.92 -51.66 69.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.28 177.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -56.08 -49.23 74.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.366 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -60.98 -48.82 80.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.434 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -33.59 76.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 0.0 111.777 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' THR . . . . . 0.5 HG21 HG12 ' B' ' 30' ' ' ILE . 28.3 p -86.03 -15.33 41.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.455 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 19.85 67.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.45 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 75.3 mtm -115.57 152.26 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -72.81 158.45 35.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.438 HD21 ' HG2' ' B' ' 42' ' ' GLU . 8.0 mp -54.35 -35.52 62.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -64.52 -46.13 84.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.156 0.503 . . . . 0.0 110.671 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 18.7 m -66.72 -45.74 77.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.94 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -52.95 63.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.197 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -56.39 -49.69 73.74 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.284 0.365 . . . . 0.0 111.224 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.01 -43.44 77.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 111.423 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 46.4 m-80 -73.5 -36.65 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.416 HD21 HG21 ' B' ' 30' ' ' ILE . 87.9 mt -64.6 -42.79 95.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.736 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.68 -33.26 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.3 -48.97 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.747 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.469 ' HA ' ' HB1' ' B' ' 21' ' ' ALA . 70.7 mt -60.75 -37.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.18 177.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -68.67 -35.95 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.157 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 53.0 m -70.22 -23.39 62.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.42 -13.2 74.03 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.918 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.43 22.36 47.81 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.305 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.631 ' HA ' HG11 ' B' ' 86' ' ' VAL . 8.7 mp -86.27 -48.49 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.87 0.367 . . . . 0.0 111.082 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.456 HG11 HD12 ' B' ' 34' ' ' LEU . 33.5 m -126.91 155.32 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.655 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -119.32 167.3 12.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.06 111.75 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.862 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -97.1 107.61 20.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.711 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -91.62 102.69 15.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.736 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.33 107.05 13.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.316 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.81 -115.02 4.82 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.444 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -106.55 -6.95 17.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 0.0 110.176 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -98.14 136.84 37.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.679 -173.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -103.75 109.95 21.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.486 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.428 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 97.1 m-85 -93.5 122.19 35.68 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.056 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.04 133.63 47.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.172 0.51 . . . . 0.0 110.272 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.546 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 1.5 tmm_? -151.19 156.1 40.23 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.546 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 33.7 mm -51.13 128.2 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.307 0.379 . . . . 0.0 110.646 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.04 89.61 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.507 -173.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.83 147.77 19.23 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 34.6 tt0 -62.86 -33.44 75.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.03 0.415 . . . . 0.0 110.335 -176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ASP . . . . . 0.577 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 6.7 m-20 -62.48 -31.94 72.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.631 HG11 ' HA ' ' B' ' 67' ' ' LEU . 61.7 t -65.93 -43.19 92.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.161 0.505 . . . . 0.0 109.779 175.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.41 91.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.33 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.577 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 97.8 mtt180 -61.33 -39.84 92.01 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.146 176.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.55 -47.23 82.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.686 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' PHE . . . . . 0.413 ' HA ' HG12 ' B' ' 93' ' ' VAL . 89.2 t80 -64.52 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.586 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.415 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.86 -39.86 87.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.287 177.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.545 ' O ' HG23 ' B' ' 96' ' ' VAL . 52.3 tp -62.9 -53.53 52.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.518 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' B' ' 90' ' ' PHE . 11.5 p -64.66 -26.85 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' GLN . . . . . 0.407 ' HG3' HD21 ' A' ' 11' ' ' LEU . 49.3 tt0 -61.25 -46.9 88.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 109.81 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' B' ' 99' ' ' GLU . 60.9 t -68.63 -42.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.293 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 92' ' ' LEU . 95.0 t -61.77 -15.58 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.366 0.603 . . . . 0.0 110.942 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.96 -56.84 3.28 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.723 173.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.55 -44.7 77.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -170.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -92.05 -13.72 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.938 -172.328 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.967 0.413 . . . . 0.0 110.455 -177.213 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.446 0.165 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.91 -29.15 69.42 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.532 0.206 . . . . 0.0 111.12 -174.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 13' ' ' ASP . . . -57.46 -29.31 64.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.509 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.62 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' B' ' 98' ' ' ASP . 4.2 mm? -69.75 -51.5 33.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.828 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.92 -19.98 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.36 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 25.8 t70 -65.57 -43.34 90.12 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.847 175.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.527 ' HB2' ' HB1' ' B' ' 97' ' ' ALA . 4.7 mm-40 -67.69 -45.61 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.962 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.86 -39.76 58.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.398 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.54 -54.4 47.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.581 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.37 -34.84 75.16 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.804 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 14' ' ' GLN . 96.5 t -64.71 -50.0 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.905 0.383 . . . . 0.0 110.238 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.05 -34.32 86.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.356 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -68.82 -35.61 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.634 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.98 72.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.0 0.429 . . . . 0.0 110.211 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -35.62 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.987 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 100.4 3.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.322 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.32 -41.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.264 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 82.07 -53.18 4.72 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.05 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.33 -43.55 92.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.725 0.297 . . . . 0.0 111.108 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -72.29 -15.62 61.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD12 ' HA2' ' A' ' 25' ' ' GLY . 80.4 mt -76.03 -14.14 60.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 111.016 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.72 -25.45 67.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.174 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 69.9 mt -69.44 -48.74 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 67' ' ' LEU . 96.1 mt -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.44 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.13 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.85 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 52.6 tp -72.88 -33.86 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.624 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 73.9 mt -79.77 -12.92 59.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.968 0.413 . . . . 0.0 110.958 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.58 -18.88 61.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.029 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.7 pt20 -100.49 6.83 44.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.15 0.5 . . . . 0.0 110.149 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.07 156.37 7.12 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.293 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 38' ' ' GLU . 8.2 pt-20 -71.47 131.88 43.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 139.35 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 -170.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -66.57 159.49 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.155 177.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.39 -52.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.607 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.22 -37.6 83.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.795 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.48 84.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.515 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.98 -44.48 98.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.32 82.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.971 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.4 m -61.99 -47.52 84.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.63 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.652 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -85.79 -14.18 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.33 . . . . 0.0 111.534 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.52 25.5 63.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.185 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.8 mtm -110.55 175.84 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' HB2' ' OG1' ' A' ' 54' ' ' THR . 6.1 m-20 -80.63 160.68 24.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.83 -35.49 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -60.28 -46.82 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.245 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 51' ' ' ASN . 3.0 m -62.47 -46.44 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.62 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -61.33 -56.09 24.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.113 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -60.53 -36.09 77.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.736 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.93 96.48 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.943 0.402 . . . . 0.0 110.842 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -73.19 -35.08 66.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.813 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.2 mt -61.46 -45.07 95.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.718 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -64.82 -37.32 87.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.626 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.38 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.037 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 67' ' ' LEU . 87.8 mt -65.45 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.716 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 m -69.17 -25.2 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.836 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.89 -11.66 61.42 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.171 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.32 25.48 28.38 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.693 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 62' ' ' LEU . 3.9 mm? -90.86 -48.25 7.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.23 157.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 112.065 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.871 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.96 159.99 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.969 179.203 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.38 129.67 52.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.232 0.539 . . . . 0.0 111.869 -174.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -109.0 117.2 33.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.358 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -89.44 115.78 27.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.015 0.436 . . . . 0.0 111.272 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -132.7 99.3 4.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.62 173.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.77 -129.07 27.11 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.919 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -87.6 -5.17 58.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -107.42 141.47 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.568 . . . . 0.0 111.746 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -114.17 117.56 31.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.506 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 89.0 m-85 -89.51 125.91 35.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.385 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 31.6 m-85 -99.77 145.5 27.63 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.449 0.642 . . . . 0.0 110.348 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.486 ' HE ' ' HB3' ' A' ' 69' ' ' GLU . 31.4 ptt180 -144.4 170.54 15.82 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.734 -173.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.82 127.96 31.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 172.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.871 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -53.17 -46.96 69.16 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.386 0.429 . . . . 0.0 111.891 -172.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.86 159.5 27.62 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.808 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -22.0 65.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.305 0.574 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.47 -48.69 78.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.423 174.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.72 -35.67 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.464 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.4 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.921 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -75.71 -24.95 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.446 HD11 HG22 ' B' ' 93' ' ' VAL . 9.3 tt -65.38 -45.75 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.559 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 60.5 t80 -64.15 -41.61 97.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.009 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.6 -36.64 84.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.728 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.11 -48.55 73.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.526 ' HA ' HG12 ' A' ' 96' ' ' VAL . 26.6 m -65.33 -28.72 45.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.672 0.273 . . . . 0.0 111.018 -177.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.654 ' HA ' HD21 ' B' ' 11' ' ' LEU . 55.9 mt-30 -64.28 -46.08 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.32 . . . . 0.0 110.166 175.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.2 t -65.58 -50.26 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 93' ' ' VAL . 12.3 p -63.02 -30.76 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.703 0.287 . . . . 0.0 111.492 -175.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HB3' ' HG ' ' B' ' 11' ' ' LEU . . . -84.99 -46.21 11.42 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.371 -0.206 . . . . 0.0 111.491 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.569 ' HB2' HD12 ' B' ' 11' ' ' LEU . 14.0 t70 -76.67 -41.19 46.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -173.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -170.6 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.44 93.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.171 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.19 -28.23 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 94' ' ' GLN . 7.0 tt -68.08 -51.06 50.77 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.562 ' HA ' HG22 ' B' ' 15' ' ' VAL . 84.8 mt -63.32 -34.42 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.74 -42.39 99.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.822 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -73.66 -43.46 59.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.741 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' B' ' 12' ' ' LEU . 33.4 m -69.89 -28.01 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.94 -33.06 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.493 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 56.0 ttp180 -63.27 -44.37 95.3 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.082 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 96.7 t -60.8 -51.85 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.27 -30.23 76.91 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.405 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -64.76 -35.19 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.92 0.39 . . . . 0.0 110.37 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.451 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -77.27 -29.36 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 91.2 mt -72.9 -35.34 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.3 92.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.731 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -176.01 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.932 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 -55.7 4.41 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.795 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.418 ' HD3' ' H ' ' B' ' 26' ' ' ARG . 0.1 OUTLIER -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 -175.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.78 -13.29 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.975 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.1 -18.82 62.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -65.02 -28.32 69.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.69 -47.08 90.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.945 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.847 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.44 -45.89 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.835 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.06 -43.91 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.561 HD12 HG11 ' B' ' 68' ' ' VAL . 54.0 mt -78.17 -5.97 53.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.884 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.78 4.01 54.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 110.177 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -113.92 8.58 17.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.816 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.92 -160.05 26.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.599 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.54 127.72 54.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -123.25 142.34 51.03 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.176 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.416 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -72.27 155.28 40.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.964 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.75 -42.1 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.442 0.464 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.553 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.4 mt-10 -60.58 -41.2 94.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.096 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.21 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' B' ' 79' ' ' TYR . 72.1 mt -59.43 -45.26 93.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.401 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.05 -52.52 64.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.732 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.0 m -60.18 -48.7 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.5 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.95 76.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.137 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -87.04 -21.51 26.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.663 0.268 . . . . 0.0 111.396 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.49 66.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.074 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.1 mtm -107.66 123.6 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -56.28 155.87 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.212 0.32 . . . . 0.0 111.079 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -45.67 -47.5 15.02 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.6 m -60.26 -45.4 93.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.009 0.433 . . . . 0.0 110.929 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -67.37 -40.96 85.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.742 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.94 -50.47 70.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' SER . . . . . 0.537 ' HA ' HD12 ' B' ' 59' ' ' LEU . 21.0 p -66.43 -26.38 67.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.379 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.87 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.925 0.393 . . . . 0.0 110.258 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -69.5 -37.05 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.473 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' B' ' 56' ' ' SER . 92.8 mt -58.97 -46.71 87.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.679 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -62.95 -37.53 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.893 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.54 94.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.451 HD23 ' HB1' ' B' ' 21' ' ' ALA . 90.8 mt -71.63 -35.92 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -68.02 -36.77 80.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 45.5 t -64.65 -28.57 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.447 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.493 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -75.16 -27.75 63.49 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.745 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.49 20.87 11.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.136 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.63 -54.18 4.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.156 0.503 . . . . 0.0 111.302 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.561 HG11 HD12 ' B' ' 34' ' ' LEU . 32.3 m -115.55 164.66 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.147 0.498 . . . . 0.0 112.001 -173.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.55 172.86 10.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.924 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.89 129.81 24.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.24 155.44 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.757 0.313 . . . . 0.0 110.556 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.412 ' HD2' ' HG2' ' B' ' 77' ' ' GLN . 19.8 mmm180 -91.75 133.54 35.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.073 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -139.89 97.35 3.23 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.51 -108.12 2.36 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.642 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 39.6 m -104.27 -22.3 13.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.895 0.378 . . . . 0.0 111.025 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -109.98 157.64 19.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 0.0 111.627 -172.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.412 ' HG2' ' HD2' ' B' ' 72' ' ' ARG . 53.5 mt-30 -99.25 143.77 29.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.187 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.29 129.99 56.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.327 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.539 ' HB2' HD11 ' B' ' 44' ' ' ILE . 28.5 m-85 -101.16 151.5 21.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.142 0.496 . . . . 0.0 110.99 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.511 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 33.4 ttm180 -161.67 164.26 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.511 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 49.1 mm -59.35 140.49 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 173.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.15 -47.63 62.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.49 -171.43 38.03 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.395 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -37.96 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.805 0.442 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ASP . . . . . 0.482 ' OD1' HG23 ' B' ' 86' ' ' VAL . 0.4 OUTLIER -52.77 -65.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.858 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.482 HG23 ' OD1' ' B' ' 85' ' ' ASP . 63.4 t -63.64 -34.01 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.242 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.3 78.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.707 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -73.12 -21.79 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.13 -60.1 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -59.49 -36.2 75.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.075 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.626 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -59.37 -49.71 76.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.344 . . . . 0.0 110.592 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 89' ' ' LEU . 76.9 t -64.11 -41.82 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.043 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -24.39 60.88 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.626 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 91' ' ' ALA . 42.4 t -65.93 -50.34 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.532 0.206 . . . . 0.0 110.909 176.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -21.78 28.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.331 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ALA . . . . . 0.527 ' HB1' ' HB2' ' A' ' 14' ' ' GLN . . . -88.39 -15.51 35.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.395 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 26.4 t70 -92.94 -65.38 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -1.78 52.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -169.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.372 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.603 0.239 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -34.23 77.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.355 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.51 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.5 67.82 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.11 -50.35 48.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.883 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.81 -28.19 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.99 -40.93 95.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.24 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.6 tp-100 -69.92 -40.51 75.51 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.237 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.11 -41.99 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' B' ' 24' ' ' ASN . . . -60.03 -42.69 94.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.06 177.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 23.0 ttm-85 -61.03 -38.41 86.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.674 0.273 . . . . 0.0 110.929 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG13 HD11 ' A' ' 67' ' ' LEU . 76.5 t -70.42 -50.02 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.72 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.05 97.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.074 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.96 -32.29 73.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.869 0.366 . . . . 0.0 110.684 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.73 50.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.427 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.54 -35.62 60.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.52 103.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.325 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -175.76 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.911 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 103.66 -53.96 0.7 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.337 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -70.75 -37.65 73.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -67.56 -17.78 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD12 ' HA2' ' A' ' 25' ' ' GLY . 89.7 mt -72.39 -33.93 67.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.129 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -67.68 -30.13 69.58 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 109.793 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.512 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.1 mt -67.52 -44.35 86.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.984 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 62' ' ' LEU . 96.0 mt -61.79 -39.22 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.48 -40.15 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.975 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.51 -43.88 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 58.3 mt -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.197 -176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -9.68 58.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.673 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -104.21 4.21 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.33 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.04 154.91 6.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.664 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.75 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 8.4 pt-20 -75.26 126.44 31.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.224 0.535 . . . . 0.0 110.556 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -121.26 151.12 40.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 150.75 42.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.69 -41.81 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.11 -43.04 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.072 177.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.34 -40.84 57.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.822 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -57.29 -49.95 78.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.533 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.91 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.903 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -60.57 -49.47 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.31 86.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.428 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 27.2 p -84.44 -14.46 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 0.0 111.559 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.67 35.63 16.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.736 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.428 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 24.0 ptp -134.1 178.25 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -99.02 162.98 12.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.651 0.262 . . . . 0.0 110.61 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.459 HD21 ' HG2' ' A' ' 42' ' ' GLU . 8.7 mp -61.68 -37.98 86.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.535 -175.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.8 m -57.35 -49.43 76.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 111.172 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -69.13 -46.5 67.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.937 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.4 78.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.343 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -65.76 -36.51 83.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.805 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.89 85.73 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.355 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.97 -46.19 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.237 176.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 79' ' ' TYR . 87.5 mt -61.75 -40.65 95.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.948 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.14 -41.51 98.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.15 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 0.0 110.388 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.408 HD13 HD21 ' A' ' 31' ' ' LEU . 80.0 mt -64.62 -38.78 92.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.337 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.37 -43.16 86.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.6 m -68.62 -27.07 65.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.934 0.397 . . . . 0.0 110.721 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -71.65 -30.47 66.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.456 171.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.16 18.3 10.6 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.434 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 18' ' ' VAL . 10.9 mp -89.18 -45.18 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.33 155.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -117.9 164.7 14.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.104 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.44 129.33 49.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.005 0.431 . . . . 0.0 111.296 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -106.18 111.68 24.4 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 72' ' ' ARG . 43.5 ttm105 -83.85 97.76 9.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 109.657 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.98 103.57 13.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.39 -114.86 7.06 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.849 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -108.12 16.29 23.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.428 0.633 . . . . 0.0 110.278 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -120.87 146.14 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.213 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -110.97 115.79 30.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.011 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.1 m-85 -102.42 139.08 38.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.933 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' HD22 ' A' ' 34' ' ' LEU . 26.9 m-85 -118.48 146.26 44.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.024 0.44 . . . . 0.0 111.185 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.75 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 10.3 ttp180 -159.21 160.83 35.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.211 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.97 129.4 13.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 O-C-N 123.201 0.313 . . . . 0.0 110.483 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.79 -59.47 4.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.136 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -127.18 170.27 18.91 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.784 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.81 -29.61 70.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.21 0.528 . . . . 0.0 110.144 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.651 ' HB2' HG22 ' B' ' 96' ' ' VAL . 2.0 p-10 -58.3 -49.1 78.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.345 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 67' ' ' LEU . 58.1 t -66.96 -40.61 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.86 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.75 90.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.678 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 45.9 mtp180 -68.49 -35.11 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.756 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.04 -52.53 64.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.185 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.74 -35.52 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.66 -43.33 80.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.706 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 96' ' ' VAL . 61.9 tp -58.17 -55.47 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.51 -30.97 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -66.0 -46.62 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.308 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 91' ' ' ALA . 91.2 t -62.44 -41.82 93.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.791 0.329 . . . . 0.0 110.304 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 92' ' ' LEU . 84.7 t -56.62 -53.38 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.472 176.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.58 -49.06 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.782 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 11' ' ' LEU . 35.1 t70 -60.19 -53.88 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.42 -174.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.897 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.9 tttp . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.203 0.525 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.33 67.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.526 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.97 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 98' ' ' ASP . 2.6 mm? -73.81 -42.82 60.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.822 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.05 -33.9 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.524 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 12.4 t70 -62.67 -47.35 84.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 176.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.78 -45.52 82.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.004 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.38 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.077 0.465 . . . . 0.0 110.292 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.541 ' HB1' ' HE3' ' B' ' 20' ' ' LYS . . . -62.61 -39.49 93.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.757 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 55.1 mtt180 -58.43 -45.7 87.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 110.645 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.112 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.02 94.12 Favored Glycine 0 C--O 1.223 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.541 ' HE3' ' HB1' ' B' ' 16' ' ' ALA . 93.3 mttt -67.95 -37.73 81.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.173 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -78.07 -42.29 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 0.0 110.646 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.527 HD23 HD22 ' B' ' 28' ' ' LEU . 0.5 OUTLIER -92.28 26.11 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.71 -78.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.405 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.624 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 3.8 p-10 -165.22 167.63 17.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.636 -174.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.57 20.8 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.055 170.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.429 ' O ' HG13 ' B' ' 30' ' ' ILE . 9.2 mtm180 -65.43 -22.53 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.118 -0.541 . . . . 0.0 111.346 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.2 -39.05 71.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.197 0.522 . . . . 0.0 110.469 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.527 HD22 HD23 ' B' ' 22' ' ' LEU . 16.8 mt -78.91 -29.14 44.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.704 -175.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.17 -34.33 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.449 HG21 HD21 ' B' ' 59' ' ' LEU . 68.1 mt -64.55 -45.05 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.25 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.07 -42.4 94.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.82 -28.55 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.3 tp -79.68 -38.52 33.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 82.0 mt -71.63 -17.41 62.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.43 -5.38 42.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.2 0.524 . . . . 0.0 110.563 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -96.78 1.93 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.98 -129.06 3.63 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.761 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . 0.511 ' HB2' ' HD2' ' B' ' 80' ' ' ARG . 35.7 tt0 -133.22 117.27 17.22 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -131.1 146.24 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.837 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.655 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -74.77 154.46 38.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 77' ' ' GLN . 41.2 t -51.96 -42.76 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 O-C-N 123.484 0.49 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.01 -47.1 81.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.517 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.45 89.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.0 mt -60.75 -49.75 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.369 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ALA . . . . . 0.533 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -58.41 -47.27 84.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.176 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.6 m -61.15 -49.57 76.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.007 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.86 88.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.904 -176.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 18.0 p -80.8 -17.51 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.785 0.326 . . . . 0.0 111.65 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 35.35 49.29 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -174.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.533 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 28.0 ttp -125.39 143.26 51.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -75.41 155.81 35.99 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.473 -0.091 . . . . 0.0 110.972 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.16 -47.26 45.87 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -60.04 -46.86 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.072 0.463 . . . . 0.0 111.143 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' THR . . . . . 0.454 ' HB ' ' HG3' ' B' ' 50' ' ' MET . 3.7 m -67.55 -43.5 80.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.18 -52.17 60.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.771 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.4 p -61.86 -36.69 81.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.676 0.274 . . . . 0.0 111.135 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.11 87.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.668 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.403 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.8 m-20 -66.16 -37.21 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.772 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.449 HD21 HG21 ' B' ' 30' ' ' ILE . 78.6 mt -64.08 -42.6 96.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.159 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.66 -36.49 78.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.644 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.74 79.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.624 HD23 ' HB1' ' B' ' 21' ' ' ALA . 81.8 mt -62.83 -39.33 94.03 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.705 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' B' ' 68' ' ' VAL . 50.2 tttm -65.37 -46.34 80.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 37.8 m -67.42 -25.76 66.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.086 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.79 -29.14 67.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.577 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.99 11.38 30.17 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.743 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.581 ' HA ' HG21 ' B' ' 86' ' ' VAL . 10.8 mp -82.93 -48.25 10.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.51 -175.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' B' ' 81' ' ' ILE . 28.2 m -132.59 156.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.379 . . . . 0.0 111.168 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -122.43 166.0 15.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.251 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.81 136.27 49.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' B' ' 71' ' ' ARG . 35.5 ttt180 -117.56 145.66 44.12 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -128.81 125.51 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.013 -0.675 . . . . 0.0 112.311 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.433 ' HB2' ' HE2' ' B' ' 78' ' ' TYR . 70.5 mt-10 -122.12 108.95 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.742 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 -97.51 0.94 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.765 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -129.59 2.95 5.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.695 0.284 . . . . 0.0 110.967 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -94.56 130.9 40.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 111.003 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' GLN . . . . . 0.422 ' O ' HG23 ' B' ' 41' ' ' VAL . 52.0 tt0 -102.21 109.14 20.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.849 -178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.655 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 72.6 m-85 -92.44 151.91 19.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.274 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -125.6 148.05 49.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.484 173.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ARG . . . . . 0.511 ' HD2' ' HB2' ' B' ' 38' ' ' GLU . 55.3 ttt180 -163.61 156.82 18.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.649 -177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.512 ' HA ' HG12 ' B' ' 68' ' ' VAL . 63.4 mt -58.34 131.69 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.56 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.102 -173.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.86 156.79 21.29 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.395 -0.907 . . . . 0.0 113.255 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -58.14 -34.02 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.998 0.519 . . . . 0.0 110.578 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.78 -50.64 65.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.484 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' VAL . . . . . 0.581 HG21 ' HA ' ' B' ' 67' ' ' LEU . 60.1 t -69.55 -41.68 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.941 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ALA . . . . . 0.491 ' HB2' HG21 ' B' ' 81' ' ' ILE . . . -60.9 -46.29 91.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.968 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -71.63 -29.01 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.044 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 tt -69.37 -47.42 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.43 -35.67 81.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.055 0.455 . . . . 0.0 110.16 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.484 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.04 -44.45 80.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.1 tt -60.7 -49.24 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.66 -30.85 51.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 110.707 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.91 -41.09 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.3 t -62.28 -40.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.343 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 85' ' ' ASP . 98.6 t -55.47 -46.53 78.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.733 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.26 77.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.042 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.92 -34.96 78.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -76.65 -49.89 15.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.311 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 . . . . . 0 C--N 1.33 -0.247 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.8 ttm180 . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -62.0 -44.58 96.43 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.003 0.43 . . . . 0.0 110.09 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.29 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.151 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . . . -72.97 -21.48 60.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.248 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 92.6 mt -73.77 -47.34 39.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.002 0.429 . . . . 0.0 109.983 177.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' B' ' 28' ' ' LEU . 89.3 mt -66.82 -33.22 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.559 0.695 . . . . 0.0 109.589 176.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' HB3' ' HA ' ' A' ' 10' ' ' ALA . 7.3 t70 -64.72 -38.92 92.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.475 173.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -67.09 -49.07 66.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.998 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG12 HG22 ' B' ' 93' ' ' VAL . 33.7 m -67.24 -27.07 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.355 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -61.67 -42.2 98.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.496 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG13 HD11 ' A' ' 67' ' ' LEU . 60.5 t -66.35 -50.42 67.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.404 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.92 -31.06 79.55 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.598 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.54 -44.27 87.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.623 0.249 . . . . 0.0 110.842 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -26.58 63.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.244 0.545 . . . . 0.0 110.413 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 tp -74.36 -31.02 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.761 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 16' ' ' ALA . . . -78.01 16.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -169.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -89.56 -34.32 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.033 0.444 . . . . 0.0 110.008 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -65.56 2.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.378 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -68.34 -22.88 64.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.172 0.486 . . . . 0.0 111.24 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB3' HD21 ' A' ' 62' ' ' LEU . 98.9 mtt180 -71.78 -20.58 61.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.122 0.487 . . . . 0.0 110.016 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -80.48 -25.02 39.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.555 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -65.26 -33.23 75.49 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.224 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 62.0 mt -65.06 -44.36 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.086 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.424 HD11 HD23 ' A' ' 67' ' ' LEU . 91.8 mt -63.29 -41.38 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 177.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.7 -37.56 71.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.629 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 51.8 tp -77.1 -44.87 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.26 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 75.4 mt -73.88 -3.23 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.712 0.291 . . . . 0.0 111.677 -175.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.23 65.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.331 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 10.7 pt20 -84.24 -16.67 42.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -175.29 23.89 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -82.49 131.24 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.346 0.573 . . . . 0.0 110.366 -178.865 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -115.16 147.87 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.21 150.7 47.76 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.2 t -52.6 -40.64 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HA ' HD11 ' A' ' 52' ' ' LEU . 4.0 tm-20 -59.35 -44.03 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.455 177.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.87 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.063 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.94 -49.58 78.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.018 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.06 62.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.147 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 m -61.98 -46.06 90.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.5 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.38 66.53 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.0 p -95.63 -11.31 27.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.366 . . . . 0.0 111.449 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.44 35.27 29.84 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.158 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -125.32 158.27 34.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.1 159.47 30.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.874 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mm? -56.16 -42.06 76.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 p -67.56 -47.17 70.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.014 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 m -61.72 -48.37 81.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.967 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.53 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.087 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.5 m -59.79 -38.21 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.692 0.282 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.54 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' HD22 ' A' ' 58' ' ' ASN . 1.0 OUTLIER -79.89 -37.32 35.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.675 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.85 -46.57 87.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.284 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.68 -32.41 74.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.35 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.393 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 27' ' ' ARG . 80.5 mt -65.97 -33.33 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -69.99 -34.4 73.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.839 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.5 m -69.97 -26.04 63.91 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.116 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.49 -16.34 73.84 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.831 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 21.42 49.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.439 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.535 HD11 HG13 ' A' ' 18' ' ' VAL . 9.5 mp -91.52 -33.52 15.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.62 152.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 0.0 111.525 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.675 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 1.8 tm-20 -124.47 177.34 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.384 176.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.23 113.54 18.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 111.523 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -109.22 109.0 19.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.724 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -90.98 139.37 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.041 0.448 . . . . 0.0 111.045 -176.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -135.29 115.65 13.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.399 -0.818 . . . . 0.0 108.96 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.82 -112.51 4.13 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.515 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -113.3 -4.94 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.167 0.508 . . . . 0.0 110.512 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -100.87 146.48 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 7.9 tt0 -113.15 123.6 50.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.059 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 27.7 m-85 -103.66 136.85 42.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.156 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -107.15 140.63 39.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.038 0.447 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.41 ' HB2' ' HA ' ' A' ' 38' ' ' GLU . 14.7 ttp85 -152.92 161.46 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -46.48 130.55 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 O-C-N 123.463 0.477 . . . . 0.0 110.406 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.675 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -56.21 -36.07 68.01 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.58 0.55 . . . . 0.0 112.392 -171.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -164.34 169.78 39.28 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.084 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.88 -23.33 67.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.849 0.356 . . . . 0.0 110.308 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -57.45 8.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.136 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.4 t -70.14 -35.74 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.6 77.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -71.09 -30.8 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.49 -49.82 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.72 -36.82 84.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.47 -46.1 81.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.603 176.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 96' ' ' VAL . 48.9 tp -63.02 -48.91 76.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.373 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.72 -28.75 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.624 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.55 -43.16 90.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.7 t -59.07 -41.81 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.619 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 92' ' ' LEU . 61.8 t -53.63 -48.27 59.96 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.058 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.15 -47.75 33.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.49 -61.78 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.521 -172.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -171.136 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 N--CA 1.462 0.156 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.25 75.98 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -33.24 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 15' ' ' VAL . 4.0 mm? -74.7 -39.48 61.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.384 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.24 -37.02 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.16 -36.91 84.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.143 0.497 . . . . 0.0 110.168 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -67.21 -39.29 86.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.565 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 11' ' ' LEU . 68.8 t -66.89 -38.57 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.206 0.527 . . . . 0.0 109.947 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . . . -63.18 -39.66 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.779 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -60.6 -51.9 67.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.451 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.41 -31.44 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.58 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.96 87.02 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.581 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -63.49 -45.93 88.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.592 0.234 . . . . 0.0 110.647 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.05 -31.43 72.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -73.31 -26.85 61.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.16 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.38 64.85 5.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASN . . . . . 0.528 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 41.8 t30 -173.71 110.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 171.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' B' ' 29' ' ' GLN . . . -54.66 -35.9 58.19 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.647 -176.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' B' ' 26' ' ' ARG . 0.2 OUTLIER -59.51 -37.88 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.938 0.369 . . . . 0.0 111.711 -178.331 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.545 ' HG2' ' OD1' ' B' ' 58' ' ' ASN . 22.3 mtm180 -81.36 -23.65 37.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.499 . . . . 0.0 110.041 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 81.1 mt -75.35 -22.73 57.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.656 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 25' ' ' GLY . 27.2 mt-30 -62.39 -28.65 69.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.48 . . . . 0.0 110.543 176.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.5 mt -71.8 -46.89 59.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.905 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.88 -33.8 76.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.309 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.05 -43.38 91.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.199 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 60.2 tp -70.22 -41.12 74.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.963 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 84.8 mt -66.39 -25.55 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.217 -178.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.33 62.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.539 . . . . 0.0 110.377 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -103.49 8.63 37.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.913 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.58 150.28 6.8 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.62 146.13 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' B' ' 43' ' ' ALA . 0.0 OUTLIER -143.38 158.41 43.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.45 -170.159 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -88.64 161.81 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.01 -48.34 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.463 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.25 -46.28 88.92 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.757 0.313 . . . . 0.0 110.973 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ALA . . . . . 0.509 ' HB3' ' HG3' ' B' ' 39' ' ' ARG . . . -68.29 -38.53 81.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.0 mt -61.91 -49.71 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.97 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.957 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -63.33 -43.02 98.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.644 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.09 74.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.511 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 27.0 p -89.07 -7.92 54.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.386 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.18 35.56 60.61 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.014 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.4 mtm -122.01 169.46 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -85.61 154.42 21.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.033 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.51 -53.89 48.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -66.13 -26.81 67.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.239 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 35.6 m -74.59 -36.88 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.008 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.69 85.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.4 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 34.6 p -65.62 -32.92 74.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.48 96.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.069 0.461 . . . . 0.0 110.79 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.545 ' OD1' ' HG2' ' B' ' 27' ' ' ARG . 37.5 m-80 -68.16 -38.85 82.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.77 -36.23 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.617 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -59.75 -42.59 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.779 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.602 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.53 -33.81 69.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' B' ' 69' ' ' GLU . 23.6 tptp -68.22 -48.06 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.969 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 17.8 p -69.45 -27.56 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.283 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.21 -30.5 64.99 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.919 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 30.08 7.82 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.743 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -95.97 -30.47 13.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.541 0.21 . . . . 0.0 111.429 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' VAL . . . . . 0.435 ' O ' ' HD2' ' B' ' 63' ' ' LYS . 27.5 m -134.99 162.9 37.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLU . . . . . 0.565 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 80.6 mm-40 -123.13 173.16 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.404 173.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.86 147.79 52.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.923 0.392 . . . . 0.0 111.362 -176.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 71' ' ' ARG . 36.3 ttm180 -129.57 130.15 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -91.95 112.97 25.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.673 0.273 . . . . 0.0 110.279 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -127.67 110.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.472 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.68 4.34 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.798 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 m -104.06 -16.81 15.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.459 0.647 . . . . 0.0 110.291 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -108.19 152.18 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.177 -171.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -111.76 124.91 53.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.576 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' TYR . . . . . 0.58 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 35.9 m-85 -98.22 150.9 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.429 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -125.51 142.69 51.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -147.33 167.94 23.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.161 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.25 139.67 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 123.201 0.313 . . . . 0.0 110.171 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.565 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -62.68 -27.41 69.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -172.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.34 174.13 44.34 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.53 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 24.7 tp10 -65.65 -36.82 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 110.734 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ASP . . . . . 0.426 ' CB ' HG22 ' A' ' 96' ' ' VAL . 1.1 m-20 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.234 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.56 -36.46 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.81 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.355 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 21.9 mmm180 -65.45 -37.88 88.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.243 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.06 -52.24 66.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.35 -38.8 90.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.467 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.09 -46.3 71.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.41 -48.82 73.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 15' ' ' VAL . 8.0 p -65.02 -29.36 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 110.628 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.41 -40.6 85.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.184 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 91' ' ' ALA . 84.6 t -62.89 -44.92 99.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.17 176.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.43 -43.66 83.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.83 42.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.97 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.81 -47.0 77.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.745 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -63.11 -61.02 2.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.001 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -168.354 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttp . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.44 0.162 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.97 113.29 2.02 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.08 -115.02 5.55 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.604 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -172.69 139.71 0.94 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -94.37 106.75 18.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.309 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -96.2 8.9 42.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.849 0.357 . . . . 0.0 110.827 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -63.45 -17.28 62.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.91 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.167 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.8 -30.37 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.59 -25.22 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.0 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.9 tt -73.17 -43.79 60.91 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' B' ' 28' ' ' LEU . 86.0 mt -65.05 -32.98 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.255 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -57.64 -43.98 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.451 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.74 -39.36 80.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 11' ' ' LEU . 95.1 t -63.26 -44.78 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.38 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.34 -32.18 73.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.97 -50.46 68.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.478 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -67.36 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.528 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.32 94.74 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.04 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 93.3 mttt -61.54 -35.9 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.387 . . . . 0.0 111.031 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' HD23 ' A' ' 62' ' ' LEU . . . -69.89 -42.86 72.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.758 HD21 HG12 ' B' ' 15' ' ' VAL . 10.4 tt -73.96 -36.08 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.291 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 93.46 0.91 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.06 0.457 . . . . 0.0 111.135 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -170.48 -41.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.027 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.94 -58.73 2.45 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.537 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -68.96 -35.41 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.848 0.356 . . . . 0.0 110.758 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 58' ' ' ASN . 24.8 mtm180 -72.19 -12.11 61.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.353 . . . . 0.0 110.903 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.696 HD21 ' HG ' ' A' ' 22' ' ' LEU . 93.9 mt -76.63 -22.16 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.028 0.442 . . . . 0.0 109.813 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.38 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.18 -49.35 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.188 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.572 HD11 HD23 ' A' ' 67' ' ' LEU . 94.9 mt -60.57 -43.51 97.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 12.8 t70 -62.24 -38.38 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.72 -35.14 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD21 HD11 ' A' ' 44' ' ' ILE . 65.5 mt -76.17 -25.94 55.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.288 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -16.45 64.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.278 0.561 . . . . 0.0 110.325 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' HH21 ' A' ' 39' ' ' ARG . 64.9 mt-30 -96.58 4.18 52.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.014 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.3 143.86 4.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.188 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 7.3 pt-20 -72.38 137.01 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.695 0.283 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.434 HH21 ' HB2' ' A' ' 36' ' ' GLN . 58.9 mtt-85 -140.23 157.43 45.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 111.112 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -77.46 159.42 29.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.91 -47.09 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -56.93 -41.05 77.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.816 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -47.59 58.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.354 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.467 HD11 HD21 ' A' ' 34' ' ' LEU . 75.5 mt -60.36 -49.51 83.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.943 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.65 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.306 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.8 m -62.92 -39.32 94.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.393 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.07 83.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.431 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -90.63 -6.64 54.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.986 0.422 . . . . 0.0 111.327 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.48 31.66 45.07 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.654 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.4 mtm -117.02 155.07 29.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -74.17 139.08 44.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.236 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.52 -41.1 72.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.181 0.301 . . . . 0.0 111.655 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 m -60.02 -47.81 84.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 m -68.72 -36.0 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.57 75.45 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 18.9 t -56.88 -38.5 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.166 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.85 -51.02 71.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.85 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.469 ' HB2' ' CD ' ' A' ' 27' ' ' ARG . 32.8 p30 -81.39 -21.06 39.25 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.701 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.59 -39.65 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 56' ' ' SER . 74.7 mt-30 -65.26 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.391 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.505 HD23 ' HB1' ' A' ' 21' ' ' ALA . 89.0 mt -71.54 -32.99 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -68.25 -46.39 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.488 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 p -65.92 -29.76 70.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.73 -32.17 77.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.752 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.28 15.39 17.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 31' ' ' LEU . 8.4 mp -86.7 -49.07 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.709 0.29 . . . . 0.0 111.473 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.76 156.42 33.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.155 0.503 . . . . 0.0 111.506 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -130.29 170.44 14.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.407 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.76 142.77 51.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.892 0.377 . . . . 0.0 111.252 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -124.74 140.07 53.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.395 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.88 109.77 21.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.093 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.609 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 34.2 tt0 -109.05 102.68 11.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.16 -106.99 2.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.787 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -122.93 6.94 9.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.176 0.512 . . . . 0.0 110.914 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -104.18 143.3 33.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -101.74 106.33 17.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.785 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 75.0 m-85 -93.39 131.08 38.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.949 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -101.2 139.87 36.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.254 0.549 . . . . 0.0 110.618 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 28.2 ttt-85 -141.71 152.8 44.18 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.8 134.75 23.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.92 51.57 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.382 0.426 . . . . 0.0 111.706 -173.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.77 170.75 36.01 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.85 -18.92 65.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.209 0.504 . . . . 0.0 110.463 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.87 -55.4 27.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.999 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 67' ' ' LEU . 45.1 t -72.43 -36.21 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.593 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.246 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -69.15 -29.42 67.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.394 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.51 -44.6 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -66.19 -38.38 87.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.523 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.26 96.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.119 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.729 HD22 HD13 ' B' ' 89' ' ' LEU . 7.1 tt -61.6 -52.08 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.711 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.452 ' HA ' HG12 ' A' ' 96' ' ' VAL . 34.6 m -63.1 -31.51 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -67.66 -49.94 60.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.339 . . . . 0.0 110.222 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.31 -46.31 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.819 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 93' ' ' VAL . 10.0 p -64.34 -33.6 63.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.41 -42.21 54.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.795 0.331 . . . . 0.0 110.259 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.04 -53.02 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.754 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -75.1 -3.36 32.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.7 m80 -97.29 -40.91 8.52 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.476 173.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.52 -35.87 73.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.292 0.568 . . . . 0.0 109.666 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -103.31 62.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -78.06 91.19 4.25 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -78.11 136.74 37.93 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.099 -170.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -81.4 74.09 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -59.21 113.72 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.42 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -158.08 122.84 4.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.938 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.016 179.044 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.08 109.52 19.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.848 0.356 . . . . 0.0 110.688 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.27 -66.45 1.3 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.205 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -141.9 133.63 27.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.859 0.362 . . . . 0.0 110.566 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -158.29 109.31 2.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.501 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -86.11 84.85 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.192 0.52 . . . . 0.0 110.603 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -96.13 -23.09 16.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.349 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -64.62 -22.67 67.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.445 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.28 91.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.276 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.51 -32.16 72.18 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 110.919 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 15' ' ' VAL . 3.3 tm? -66.92 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.19 -30.53 67.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.065 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.7 -43.66 98.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.296 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -62.8 -40.22 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.701 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.758 HG12 HD21 ' A' ' 22' ' ' LEU . 81.4 t -66.35 -41.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.693 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -62.92 -32.12 73.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.023 0.44 . . . . 0.0 110.846 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -63.99 -49.65 71.64 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.682 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.476 HG12 ' O ' ' B' ' 65' ' ' GLY . 16.9 m -68.7 -27.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.886 0.374 . . . . 0.0 110.066 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -40.47 96.05 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.891 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 97.0 mttt -62.36 -40.64 97.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.91 0.386 . . . . 0.0 110.463 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -34.12 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.539 ' HA ' HD21 ' B' ' 28' ' ' LEU . 96.9 mt -85.01 -6.84 59.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.91 13.39 18.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.971 0.415 . . . . 0.0 111.204 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.509 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 29.7 m-80 -118.01 102.08 8.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.89 -40.41 93.1 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.698 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.11 -28.13 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.918 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.564 ' HB3' HD21 ' B' ' 62' ' ' LEU . 3.0 mtm180 -92.42 -20.75 20.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' B' ' 22' ' ' LEU . 76.9 mt -68.14 -35.17 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.346 176.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.96 -35.48 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 109.977 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.15 -38.24 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.407 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.76 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.64 -28.87 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.282 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -78.75 -43.36 25.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.879 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.67 -15.26 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.476 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.4 44.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.47 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -97.88 -8.18 28.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.51 165.45 12.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.056 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.743 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 0.0 OUTLIER -82.32 132.89 35.22 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.228 0.537 . . . . 0.0 110.211 178.307 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -141.07 150.21 42.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.136 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -73.02 155.96 39.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.029 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.31 -42.31 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.793 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -59.61 -44.68 93.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.664 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.42 88.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.89 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.71 -47.74 89.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -60.35 -51.72 68.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.163 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -61.06 -45.22 95.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.361 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.16 81.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.671 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -86.85 -18.5 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.807 0.336 . . . . 0.0 111.368 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.12 19.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.951 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.4 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 76.9 mtm -123.88 156.55 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 110.683 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -66.19 145.77 55.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.96 -42.65 94.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -64.21 -44.42 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.9 m -66.8 -40.75 88.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.82 96.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.568 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 55.9 m -57.74 -41.13 81.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.531 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.551 ' HA ' HH11 ' B' ' 27' ' ' ARG . 84.9 m-20 -59.28 -46.53 88.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.897 177.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.545 HD13 ' CD1' ' B' ' 79' ' ' TYR . 83.1 mt -64.96 -42.85 94.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.165 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.41 -41.15 93.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.767 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.05 91.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' B' ' 27' ' ' ARG . 94.5 mt -63.87 -39.98 95.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.544 . . . . 0.0 110.452 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.59 -35.27 78.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.13 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 38.9 m -69.48 -27.67 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.688 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.476 ' O ' HG12 ' B' ' 18' ' ' VAL . . . -80.64 -18.6 70.25 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.06 176.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.12 19.8 32.39 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.18 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.45 ' HA ' HG11 ' B' ' 86' ' ' VAL . 4.5 mm? -83.32 -46.5 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.676 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.18 159.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.68 159.84 25.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.404 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.3 109.22 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.909 0.385 . . . . 0.0 110.615 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -108.58 104.37 13.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -100.08 128.8 46.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.69 -172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.59 127.38 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.789 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.97 -115.45 6.53 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.191 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 p -115.8 11.66 15.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.992 0.425 . . . . 0.0 111.106 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ARG . . . . . 0.491 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 52.1 mtt180 -114.15 143.56 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.886 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 28.9 tt0 -108.63 104.06 13.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.491 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 58.3 m-85 -91.4 133.41 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.545 ' CD1' HD13 ' B' ' 59' ' ' LEU . 51.5 m-85 -104.59 143.16 33.43 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.036 0.445 . . . . 0.0 110.004 174.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.743 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 13.3 ttt180 -152.6 154.2 34.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.924 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.36 131.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.15 -44.73 52.67 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.51 0.506 . . . . 0.0 112.013 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.78 164.74 33.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.795 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 12.9 pt-20 -58.47 -32.95 69.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 110.56 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ASP . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 88' ' ' ARG . 2.7 m-20 -59.52 -44.08 93.27 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.953 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' B' ' 67' ' ' LEU . 40.2 t -69.4 -38.74 77.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.965 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.12 95.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 41.0 mtm-85 -66.83 -30.51 70.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.687 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.729 HD13 HD22 ' A' ' 92' ' ' LEU . 65.9 tp -67.49 -50.3 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.516 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.99 -38.73 92.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.313 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.466 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.58 -44.41 94.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.473 176.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.466 ' O ' HG23 ' B' ' 96' ' ' VAL . 57.4 tp -60.08 -52.68 64.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.708 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.78 -30.9 51.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.957 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.81 -42.53 81.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.919 0.39 . . . . 0.0 109.965 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 91' ' ' ALA . 70.4 t -65.6 -44.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.532 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 92' ' ' LEU . 97.2 t -60.49 -44.6 96.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.658 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.17 -54.41 46.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.518 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.23 -37.21 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.629 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -25.75 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.214 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -102.06 -10.33 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.914 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 101' ' ' LEU . 2.5 mm? -79.41 90.28 5.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 57.09 96.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 O-C-N 124.141 0.901 . . . . 0.0 111.312 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -77.68 -8.78 58.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.988 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 65.45 -170.74 0.19 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.754 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -126.01 116.55 21.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.01 0.433 . . . . 0.0 111.109 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -97.19 107.23 19.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.235 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -119.29 19.58 12.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.737 0.304 . . . . 0.0 111.683 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 . . . . . 0 C--O 1.244 0.8 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.909 171.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.12 -40.13 28.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.259 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.81 -49.37 4.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.176 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 74.65 -35.68 0.3 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.69 0.796 . . . . 0.0 111.957 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -67.82 -28.07 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.028 0.442 . . . . 0.0 110.559 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.49 106.97 18.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.145 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 7' ' ' ARG . 13.8 mmt180 -75.97 -19.97 58.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.434 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -55.68 -45.43 77.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.292 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.03 82.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.99 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 15' ' ' VAL . 57.5 tp -76.09 -50.97 13.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.42 -35.06 79.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.42 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.238 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.55 -41.92 75.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.169 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 HD21 ' B' ' 22' ' ' LEU . 63.0 t -62.24 -42.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.078 176.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -67.28 -27.34 67.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.17 -51.79 58.97 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.38 -40.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.639 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.16 -39.12 94.07 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.854 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 60.1 mttp -64.92 -33.36 75.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.966 0.383 . . . . 0.0 110.511 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' HA3' ' A' ' 65' ' ' GLY . . . -74.71 -19.36 60.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.03 -30.3 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.043 0.449 . . . . 0.0 110.444 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 73.6 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -139.5 -164.11 1.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.492 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.1 -116.22 2.96 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.153 -1.023 . . . . 0.0 112.311 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' A' ' 26' ' ' ARG . 8.8 ptt180 -69.46 -3.53 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.49 -34.09 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.185 0.517 . . . . 0.0 110.546 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 HG23 ' B' ' 15' ' ' VAL . 67.6 mt -70.31 -16.0 62.95 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.547 -174.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -63.04 -32.39 73.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 0.0 109.659 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.43 HG21 HD21 ' A' ' 59' ' ' LEU . 59.7 mt -69.51 -39.45 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.659 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.94 -47.62 85.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.33 -34.49 78.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.59 -39.04 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.643 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.3 -13.92 59.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -27.11 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.61 -25.49 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.993 0.425 . . . . 0.0 110.779 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.27 179.62 35.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.67 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -74.03 145.11 44.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.881 0.372 . . . . 0.0 110.69 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -141.71 145.09 34.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -80.88 150.27 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 56' ' ' SER . 70.4 t -53.85 -42.33 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 111.332 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 tm-20 -57.6 -45.44 85.31 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.279 0.562 . . . . 0.0 110.335 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.14 -43.14 68.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ALA . 78.5 mt -58.24 -50.49 78.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.79 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.98 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.173 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.7 m -60.6 -49.71 76.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.45 86.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.934 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.8 p -83.82 -18.8 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.652 0.263 . . . . 0.0 111.516 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.06 33.31 12.28 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.487 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.8 mtm -124.79 169.52 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -80.02 159.43 26.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.031 0.443 . . . . 0.0 111.516 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 86.6 mt -60.26 -52.36 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.015 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -40.72 78.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.941 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -63.09 -48.13 79.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.756 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.45 90.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.101 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' HG11 ' A' ' 41' ' ' VAL . 10.5 p -63.35 -36.42 83.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.33 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.0 76.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.728 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 94.9 m-20 -60.77 -42.91 98.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.148 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -64.99 -38.77 92.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.688 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -67.44 -31.27 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.802 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.53 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 78.4 mt -62.74 -36.93 84.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.682 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.08 -41.76 94.72 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.84 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -68.78 -20.83 64.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.658 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . -87.8 -7.11 75.27 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.276 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.43 11.54 62.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.914 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.536 ' HA ' HG11 ' A' ' 86' ' ' VAL . 4.4 mm? -77.09 -50.73 12.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 81' ' ' ILE . 27.8 m -134.09 162.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.336 -174.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -119.09 158.44 25.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.971 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.82 116.05 30.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.775 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -99.65 104.38 16.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.606 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -100.73 107.82 19.52 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -125.08 107.7 11.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.222 0.534 . . . . 0.0 110.149 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.16 -121.36 7.57 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.301 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -103.57 -4.59 23.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.405 0.621 . . . . 0.0 109.941 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 10.5 mmp_? -101.57 138.94 37.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.676 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.178 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 63.4 m-85 -101.29 146.6 27.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' HD13 ' A' ' 59' ' ' LEU . 22.7 m-85 -120.89 139.0 53.82 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.185 0.517 . . . . 0.0 110.94 175.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HD3' ' HB3' ' A' ' 38' ' ' GLU . 13.6 tpt180 -135.55 149.15 49.36 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.645 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.469 ' HA ' HG12 ' A' ' 68' ' ' VAL . 41.8 mm -54.44 127.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.79 -52.72 55.62 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.686 0.616 . . . . 0.0 111.526 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.6 157.64 25.8 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.444 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.29 -16.1 63.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.82 -50.49 70.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 170.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 67' ' ' LEU . 39.6 t -72.09 -34.08 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.478 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.12 92.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.11 -35.65 81.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.0 tt -60.76 -63.28 1.35 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.862 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.56 -37.54 87.71 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.485 0.183 . . . . 0.0 111.007 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -59.81 -48.73 80.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.317 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.1 tp -58.97 -49.2 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.385 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.777 HG12 HG12 ' B' ' 15' ' ' VAL . 93.1 t -54.97 -44.33 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' HG2' HD23 ' B' ' 11' ' ' LEU . 10.3 tt0 -69.88 -41.55 74.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.372 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' ALA . 80.4 t -65.86 -47.18 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.018 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.02 -39.23 77.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.994 0.426 . . . . 0.0 110.398 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' B' ' 14' ' ' GLN . . . -61.94 -44.99 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.841 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.73 ' HB2' HD21 ' B' ' 11' ' ' LEU . 16.2 t70 -62.06 -53.34 56.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.26 -19.49 63.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -106.18 -12.26 15.79 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.257 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.4 tp -78.49 -35.67 46.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 167.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.553 ' HB2' HH22 ' B' ' 7' ' ' ARG . 8.3 tp10 -63.47 127.5 31.59 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.77 172.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -121.09 160.9 22.71 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -60.65 104.15 0.32 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.886 -174.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -125.96 62.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.095 0.95 . . . . 0.0 110.282 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -132.91 -49.19 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.807 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -71.73 134.23 46.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.462 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.2 m170 . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.526 176.498 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.85 -45.16 5.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.05 45.91 0.47 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.592 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -89.42 -20.15 24.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.63 0.729 . . . . 0.0 109.623 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' B' ' 6' ' ' ASP . 58.3 m -148.49 160.56 42.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.897 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.621 ' OD1' ' HG3' ' B' ' 8' ' ' LYS . 15.3 t70 72.31 128.89 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.19 0.932 . . . . 0.0 110.904 -176.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.553 HH22 ' HB2' ' A' ' 102' ' ' GLU . 55.7 mtp85 -72.32 -49.81 31.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.601 -175.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.667 ' HA ' ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -64.45 -24.01 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -172.437 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.54 72.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.374 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -82.68 -23.57 34.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.457 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 98' ' ' ASP . 7.0 mp -65.18 -37.77 88.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.34 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' B' ' 15' ' ' VAL . 98.7 mt -66.31 -25.04 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.776 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -76.34 -37.63 57.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.31 0.576 . . . . 0.0 109.61 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 14.0 mm100 -66.08 -49.98 65.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.811 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.777 HG12 HG12 ' A' ' 93' ' ' VAL . 28.9 m -67.07 -30.42 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 20' ' ' LYS . . . -66.08 -36.27 82.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.037 0.446 . . . . 0.0 110.417 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' B' ' 64' ' ' SER . 7.5 ttp180 -71.9 -48.14 47.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.499 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' B' ' 15' ' ' VAL . 32.7 m -67.69 -35.71 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.077 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.52 -30.63 64.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.684 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' B' ' 16' ' ' ALA . 31.2 ttmt -65.8 -33.1 75.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.169 0.509 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.612 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -78.47 -38.06 41.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.882 ' HG ' HD21 ' B' ' 28' ' ' LEU . 7.8 tt -78.51 -13.12 59.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.582 -174.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.48 8.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.431 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 34.3 m-80 -122.55 122.11 38.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.722 0.296 . . . . 0.0 111.218 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -40.29 98.59 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.698 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -69.36 -14.02 62.69 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.615 -0.344 . . . . 0.0 111.417 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 97.4 mtt180 -93.17 -26.64 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.027 0.441 . . . . 0.0 110.029 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.882 HD21 ' HG ' ' B' ' 22' ' ' LEU . 96.0 mt -72.74 -31.07 64.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.57 -32.6 70.51 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 174.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 65.5 mt -66.31 -47.83 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.146 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.62 -41.85 98.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.37 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.868 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' HG3' ' B' ' 39' ' ' ARG . 55.1 tp -72.16 -39.4 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.845 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 79.1 mt -71.41 -26.11 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.4 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.417 0.627 . . . . 0.0 109.998 174.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -93.7 15.38 16.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.403 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.88 153.55 7.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.404 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.47 129.5 38.93 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' HG ' ' B' ' 33' ' ' LEU . 21.1 mmt180 -127.17 149.91 49.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -172.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.9 170.27 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.29 -55.06 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.451 0.47 . . . . 0.0 111.76 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.91 -40.48 84.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.74 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.18 -46.13 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.69 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.25 96.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.332 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.0 m -67.35 -46.04 74.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.3 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.745 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.512 ' HB ' ' HE2' ' B' ' 50' ' ' MET . 22.5 p -89.74 -11.76 41.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.654 0.264 . . . . 0.0 111.421 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.36 36.03 59.72 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.512 ' HE2' ' HB ' ' B' ' 48' ' ' THR . 71.0 mtm -125.51 170.62 11.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.585 0.231 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.74 160.25 28.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.902 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.61 -42.92 93.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -60.92 -48.18 83.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 177.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -59.62 -47.41 85.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.659 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -59.91 -44.74 94.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.391 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.231 0.539 . . . . 0.0 110.166 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.534 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 93.5 m-20 -68.23 -43.52 77.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.603 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 90.4 mt -59.83 -44.44 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.587 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -59.62 -46.32 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.298 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.13 92.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.612 HD23 ' HB1' ' B' ' 21' ' ' ALA . 98.7 mt -67.57 -32.71 73.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -76.43 -35.13 58.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.716 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' SER . . . . . 0.474 ' O ' ' HD2' ' B' ' 17' ' ' ARG . 32.1 m -67.27 -28.35 67.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.469 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -73.72 -25.97 70.66 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.492 174.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.36 23.01 25.4 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.079 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.471 ' HA ' HG11 ' B' ' 86' ' ' VAL . 7.3 mp -91.7 -32.81 15.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -176.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.26 152.52 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 111.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.39 163.9 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.732 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' B' ' 79' ' ' TYR . . . -136.99 163.35 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.093 0.473 . . . . 0.0 111.808 -175.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' B' ' 71' ' ' ARG . 9.4 ptp85 -128.73 151.3 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.635 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -96.07 117.04 29.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.74 0.305 . . . . 0.0 110.672 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -127.48 97.07 4.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.939 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.85 -125.12 10.95 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -174.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -90.91 -14.56 31.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.033 0.444 . . . . 0.0 110.548 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -94.52 158.61 15.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.669 0.747 . . . . 0.0 112.514 -174.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -131.75 127.65 37.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.398 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -105.84 126.97 52.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.31 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' B' ' 70' ' ' ALA . 55.2 m-85 -108.23 151.78 25.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.094 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -162.05 162.06 28.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.06 134.62 16.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.203 0.314 . . . . 0.0 110.446 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.62 -65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.712 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.31 149.53 18.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.012 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.1 OUTLIER -68.68 -27.03 65.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.732 0.301 . . . . 0.0 110.39 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ASP . . . . . 0.406 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 31.2 t70 -71.42 -31.54 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.216 0.532 . . . . 0.0 109.745 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' B' ' 67' ' ' LEU . 52.7 t -65.71 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 109.364 173.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.81 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.988 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 83.5 mtt-85 -65.46 -38.97 91.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.293 176.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 93' ' ' VAL . 7.2 tt -63.76 -47.92 79.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.103 178.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -63.1 -38.73 92.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.514 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.46 -43.05 95.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.368 177.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.49 -52.5 64.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.945 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.497 HG23 HD11 ' A' ' 89' ' ' LEU . 10.6 p -62.73 -32.89 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.873 0.368 . . . . 0.0 111.012 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -69.34 -41.18 76.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 83.9 t -63.41 -44.17 98.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.435 177.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.55 -46.12 90.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.528 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' B' ' 101' ' ' LEU . . . -64.29 -45.87 86.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.145 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.75 -48.65 76.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.541 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -93.54 -2.93 53.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.416 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' B' ' 97' ' ' ALA . 33.8 tp -64.74 -49.55 70.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.956 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.36 -8.47 59.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.219 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 50.1 m80 70.05 -65.5 0.31 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.371 0.669 . . . . 0.0 111.419 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -142.52 173.28 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.094 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.24 150.44 45.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.1 0.476 . . . . 0.0 110.837 176.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -75.44 107.64 7.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.631 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -131.46 129.95 41.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.228 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.044 175.927 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.7 mtm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.814 0.34 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.68 156.16 42.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.74 -59.62 2.97 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.404 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' HB3' ' OD1' ' A' ' 6' ' ' ASP . 55.4 mt-30 60.32 101.11 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.366 0.603 . . . . 0.0 112.103 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 m -95.27 11.77 31.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.602 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 4' ' ' GLN . 10.3 p-10 -82.11 62.59 5.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.927 0.87 . . . . 0.0 109.532 174.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -62.13 -27.66 69.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.117 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -62.3 -29.43 70.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.66 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.722 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.23 -27.33 63.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.25 0.548 . . . . 0.0 110.574 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.1 mp -68.9 -30.82 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.643 176.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.99 -32.75 73.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.124 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -64.67 -38.26 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.038 0.446 . . . . 0.0 110.274 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HB3' ' HB1' ' B' ' 97' ' ' ALA . 5.0 tp-100 -69.61 -41.27 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.968 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' LEU . 53.2 t -57.22 -41.82 78.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.85 79.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.391 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HD2' ' OE1' ' A' ' 14' ' ' GLN . 72.4 mtt85 -68.38 -32.2 72.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 62.0 t -66.99 -50.61 62.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.15 94.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.381 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.77 -40.44 95.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 0.0 110.316 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . -68.1 -28.78 67.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.792 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD21 HD21 ' A' ' 67' ' ' LEU . 74.5 mt -90.2 2.84 54.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.51 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.39 14.09 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -137.62 124.15 20.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.678 0.275 . . . . 0.0 110.709 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.06 -39.61 97.38 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.412 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.19 -24.58 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 111.037 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 21' ' ' ALA . 37.6 ttm180 -80.37 -28.91 37.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.001 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.47 -22.34 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.265 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.63 -30.94 71.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.13 175.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 43.9 mm -63.96 -45.44 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.98 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.65 -38.63 91.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 17.2 t70 -62.84 -39.52 94.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 44' ' ' ILE . 10.1 tt -71.28 -41.32 70.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 80.1 mt -69.14 -21.67 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.79 -13.53 60.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.179 0.514 . . . . 0.0 110.376 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 55.5 mt-30 -92.61 -3.97 54.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.31 155.42 7.74 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.493 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 9.9 pt-20 -72.26 147.63 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -151.55 153.32 34.31 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.304 -170.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 155.57 39.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.25 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.6 t -50.31 -55.68 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.437 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' HG2' HD21 ' A' ' 52' ' ' LEU . 52.7 mt-10 -61.95 -35.85 79.68 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 111.151 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . . . -67.49 -43.71 80.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.473 HG23 HD13 ' A' ' 33' ' ' LEU . 76.9 mt -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.244 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.32 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.07 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -59.34 -46.54 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.79 95.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.644 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.6 p -79.39 -20.12 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.65 15.88 55.91 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.233 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtm -105.44 168.47 9.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.592 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -84.44 167.25 16.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 42' ' ' GLU . 10.5 mp -64.08 -38.47 91.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.432 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 p -59.8 -46.93 87.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.172 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.6 m -64.62 -46.01 84.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.786 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -62.15 -52.2 64.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.584 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.548 ' HA ' HD12 ' A' ' 59' ' ' LEU . 19.3 p -62.09 -36.4 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.777 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.63 -46.15 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.019 0.437 . . . . 0.0 110.699 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' HB3' ' HG3' ' A' ' 27' ' ' ARG . 89.9 m-20 -64.3 -36.77 85.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.687 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.1 mt -63.06 -49.5 74.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.949 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.04 -35.35 80.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.02 76.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.071 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.77 -33.08 74.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.972 0.415 . . . . 0.0 110.693 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -67.26 -41.52 85.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.755 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.54 -21.8 74.71 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.905 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.41 26.87 12.69 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.427 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD21 HD21 ' A' ' 22' ' ' LEU . 11.2 mp -101.23 -47.34 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.707 0.289 . . . . 0.0 111.754 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 m -117.1 152.88 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.235 0.54 . . . . 0.0 111.811 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -122.59 163.84 19.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.911 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -120.56 142.43 49.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.175 0.512 . . . . 0.0 112.053 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 71' ' ' ARG . 24.3 mtp180 -100.33 143.06 30.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.234 171.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 29.9 mtp-105 -121.86 96.68 5.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.981 0.42 . . . . 0.0 110.305 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.0 103.34 13.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.61 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.88 -107.09 1.91 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.192 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -111.89 0.86 16.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.3 mtt85 -97.6 139.9 32.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 111.257 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.469 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 28.0 mt-30 -117.84 117.2 28.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.336 176.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.9 m-85 -101.61 146.47 27.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.78 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 59' ' ' LEU . 35.7 m-85 -113.61 143.33 44.75 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.561 177.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.472 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 19.3 ttt180 -142.39 150.05 40.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.745 -170.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 83' ' ' GLY . 59.2 mt -67.45 129.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.63 6.68 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -170.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 81' ' ' ILE . . . 161.76 158.57 9.55 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.83 177.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 12.9 pt-20 -68.59 -15.58 63.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.881 0.34 . . . . 0.0 110.495 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -47.53 86.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.124 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.448 HG13 ' HG ' ' A' ' 67' ' ' LEU . 96.0 t -66.08 -41.45 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 175.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.47 85.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.198 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 65.8 mtt180 -65.72 -34.39 78.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.81 -50.93 71.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.77 -41.9 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.601 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -64.98 -41.36 95.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.463 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.6 tt -63.95 -53.26 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.675 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.79 -31.02 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.65 -40.26 95.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.2 t -62.32 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.046 0.45 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.562 HG21 HD12 ' B' ' 89' ' ' LEU . 60.5 t -60.85 -25.5 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.142 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 101' ' ' LEU . . . -90.96 -48.42 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 176.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.69 -47.68 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -171.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.83 -63.3 1.35 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.672 ' HA ' ' CD2' ' A' ' 103' ' ' HIS . 24.5 p80 -80.3 -1.1 39.5 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.788 -173.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 97' ' ' ALA . 51.8 tp -54.46 -42.93 71.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.833 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -95.86 33.03 1.74 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.963 0.887 . . . . 0.0 110.471 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.672 ' CD2' ' HA ' ' A' ' 100' ' ' HIS . 13.9 m-70 -109.89 28.64 8.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 170.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -72.52 -7.5 50.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.037 -173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.4 m80 70.08 -174.62 0.18 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.415 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -85.48 67.88 10.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.615 -176.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -168.52 166.21 12.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.899 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.772 173.942 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.927 0.394 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.58 -19.74 18.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.761 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.47 123.09 6.19 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.964 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -120.01 -1.42 10.4 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.9 m 64.8 91.69 0.08 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.729 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -61.28 111.58 1.8 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.745 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -68.61 -50.12 53.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.267 -165.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -78.58 -38.56 39.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.218 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.7 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.303 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.13 76.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.972 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.89 -42.5 69.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.328 0.585 . . . . 0.0 109.628 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.74 -32.83 72.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.41 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -33.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.02 -43.79 74.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.831 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.27 -41.21 86.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 121.307 0.575 . . . . 0.0 110.073 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -58.88 -37.1 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.934 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.01 -42.73 99.47 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.12 -48.97 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.369 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.59 -30.52 77.6 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.298 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -65.57 -34.29 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.89 -17.78 32.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.81 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.96 -7.63 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.352 0.596 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' B' ' 24' ' ' ASN . . . -82.44 145.44 29.84 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' B' ' 23' ' ' ALA . 4.1 m-20 81.55 112.29 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.606 1.191 . . . . 0.0 110.773 -178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.96 -20.42 74.57 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.748 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -52.41 -42.99 64.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.97 0.385 . . . . 0.0 112.029 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 27' ' ' ARG . 6.0 ptt180 -90.99 -10.21 43.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 111.196 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.91 -25.8 59.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.76 -29.42 69.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.146 173.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 70.7 mt -68.94 -48.74 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.492 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.27 -37.88 78.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.212 0.529 . . . . 0.0 110.244 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.68 -40.49 95.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.13 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 56.4 tp -71.58 -39.2 70.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.732 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 56.8 mt -75.67 -12.8 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.83 -15.2 59.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.253 0.549 . . . . 0.0 110.071 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -98.97 4.84 47.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.274 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.53 172.65 13.14 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.524 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 10.4 pt-20 -85.37 139.2 31.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.895 0.378 . . . . 0.0 110.585 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -134.82 157.61 46.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.352 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -74.31 153.45 39.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.964 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.29 -43.9 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.405 ' HA ' HD13 ' B' ' 52' ' ' LEU . 3.1 mp0 -62.07 -38.33 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.713 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.29 86.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.198 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 40' ' ' ALA . 74.6 mt -61.53 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.491 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.05 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.255 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -72.09 -49.04 39.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -28.81 70.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.909 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -88.03 -23.68 23.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.666 0.27 . . . . 0.0 111.429 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.5 35.61 22.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.252 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.3 mtm -126.45 161.24 28.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.76 140.3 58.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.834 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 42' ' ' GLU . 61.5 tp -53.03 -52.86 57.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.01 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 18.2 m -63.64 -40.82 97.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -66.0 -39.92 90.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.151 0.5 . . . . 0.0 110.668 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 31.5 m -59.84 -41.08 90.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.25 95.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.761 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.24 -33.81 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.76 -34.41 77.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -70.02 -37.59 75.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.285 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -39.51 87.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.025 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.724 ' HA ' ' HA3' ' B' ' 66' ' ' GLY . 91.5 mt -75.82 -6.58 51.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' B' ' 63' ' ' LYS . 38.4 ttmt -80.12 -70.36 0.52 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 169.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -58.48 -33.1 69.41 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.62 22.75 2.99 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.704 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' B' ' 62' ' ' LEU . . . -121.63 -20.45 3.19 Favored Glycine 0 CA--C 1.507 -0.467 0 C-N-CA 119.743 -1.218 . . . . 0.0 111.502 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.556 ' HB2' HG11 ' B' ' 86' ' ' VAL . 6.4 mt 76.46 43.09 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.731 -0.734 . . . . 0.0 112.006 168.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.563 HG22 ' O ' ' B' ' 62' ' ' LEU . 27.5 m -119.06 162.25 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 172.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.554 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 53.3 mt-10 -115.08 163.78 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.1 136.12 54.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.221 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -127.2 122.6 34.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.387 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' B' ' 72' ' ' ARG . 51.9 mtt180 -97.29 108.63 21.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -111.58 87.26 2.51 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.24 -114.18 5.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.432 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.9 p -100.29 15.52 27.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.352 0.596 . . . . 0.0 110.703 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -107.83 127.72 53.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.641 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 14.9 mm-40 -107.86 104.05 13.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.939 174.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -97.1 139.82 32.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.15 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.474 ' O ' HD22 ' B' ' 34' ' ' LEU . 13.2 m-85 -122.83 147.06 46.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.186 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.524 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 10.8 ttm180 -159.44 161.49 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.498 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 59.8 mt -56.6 138.7 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 123.266 0.354 . . . . 0.0 110.194 176.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.554 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -62.77 -32.01 73.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.419 ' H ' HG22 ' B' ' 81' ' ' ILE . . . -172.58 175.14 45.74 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.166 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 14.5 pt-20 -68.18 -21.89 64.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.961 0.41 . . . . 0.0 110.256 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.83 -46.64 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.583 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.556 HG11 ' HB2' ' B' ' 67' ' ' LEU . 21.7 t -76.48 -35.66 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.633 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.9 83.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.777 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 45.9 mtt180 -65.42 -36.69 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.562 HD12 HG21 ' A' ' 96' ' ' VAL . 7.2 tt -59.32 -61.17 2.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.63 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.67 -36.34 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -62.22 -49.94 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.595 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.72 -44.16 93.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.393 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 89' ' ' LEU . 69.9 t -60.33 -40.66 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.025 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.1 -38.43 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 91' ' ' ALA . 98.6 t -57.06 -41.83 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.611 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.18 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.579 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 14' ' ' GLN . . . -67.42 -26.12 66.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.472 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.48 -61.51 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.932 -173.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -66.81 -31.68 72.46 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.229 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 101' ' ' LEU . 4.5 mm? -91.59 -1.33 57.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.136 0.493 . . . . 0.0 110.368 177.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -80.75 -32.31 35.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -72.6 113.21 9.38 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -111.39 -15.73 13.5 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -79.19 -7.02 57.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.871 0.367 . . . . 0.0 110.94 -174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -106.92 13.09 28.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.75 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -149.36 125.22 10.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.214 0.53 . . . . 0.0 111.407 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.276 -0.868 . . . . 0.0 108.865 175.567 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.743 0.306 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.01 108.25 17.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.108 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.03 109.51 3.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.013 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -92.47 -32.4 14.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.947 0.403 . . . . 0.0 110.842 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 m -89.91 4.91 48.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.417 0.627 . . . . 0.0 110.322 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -105.56 28.02 7.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.761 -174.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -64.71 -34.44 78.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.875 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -71.18 -14.02 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.571 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.3 70.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.697 0.284 . . . . 0.0 110.761 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.07 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.482 . . . . 0.0 110.235 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 15' ' ' VAL . 87.8 mt -70.71 -35.97 73.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.769 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.59 -34.22 77.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.24 -38.24 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.06 -35.35 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.385 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 11' ' ' LEU . 61.5 t -64.39 -41.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB2' ' HA2' ' B' ' 25' ' ' GLY . . . -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.715 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.56 -51.63 68.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.22 -29.13 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.49 -35.68 87.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.08 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.7 mtpt -63.34 -40.26 96.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.447 . . . . 0.0 110.352 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.81 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.599 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' A' ' 67' ' ' LEU . 50.4 mt -88.85 26.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.789 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.53 2.96 6.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.673 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.908 ' HB2' ' HA ' ' B' ' 16' ' ' ALA . 28.7 m-80 60.93 -154.21 0.37 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.098 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.45 -160.08 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.2 mtm-85 -69.23 -13.3 62.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 111.368 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -73.47 -10.52 59.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 110.538 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 24' ' ' ASN . 73.3 mt -73.2 -16.69 61.41 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.448 ' HB2' HG22 ' A' ' 48' ' ' THR . 76.7 mt-30 -60.14 -31.9 70.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 65.1 mt -68.46 -50.95 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.282 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.41 -39.35 90.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.253 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.49 -41.91 98.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 110.162 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 37.5 tp -69.14 -29.65 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.0 mt -89.42 -6.32 56.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.96 0.409 . . . . 0.0 110.983 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.54 -25.19 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.3 pt20 -84.08 -17.97 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 -161.92 34.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.764 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -96.5 133.76 40.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' HD21 ' A' ' 33' ' ' LEU . 23.0 tpp180 -135.24 141.22 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.071 -174.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -76.32 155.47 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.65 -46.21 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.868 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' HD11 ' A' ' 52' ' ' LEU . 2.8 mp0 -57.97 -41.48 83.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.868 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -40.47 77.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.428 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG12 HD23 ' A' ' 33' ' ' LEU . 84.1 mt -59.97 -50.81 78.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.767 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.35 90.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.078 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 m -65.89 -48.66 70.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.674 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 29' ' ' GLN . 21.3 p -84.77 -20.33 31.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.976 0.417 . . . . 0.0 111.246 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.19 53.71 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.222 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.7 mtm -118.16 176.33 5.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.627 0.251 . . . . 0.0 110.391 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -84.89 162.16 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.508 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.0 mm? -57.31 -53.33 59.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.346 0.403 . . . . 0.0 110.598 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -60.62 -35.22 75.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.262 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 m -69.07 -40.26 78.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.268 0.556 . . . . 0.0 110.437 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.95 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.197 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 m -58.72 -31.47 68.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.61 86.07 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.445 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.3 m-80 -72.77 -35.53 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 90.7 mt -62.96 -42.1 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.243 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.97 71.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.414 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 76.5 mt -60.73 -39.8 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -74.89 -35.21 62.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.236 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.3 p -67.59 -20.58 65.39 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.838 0.351 . . . . 0.0 110.386 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -15.52 62.26 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.6 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.37 17.27 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.446 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.689 ' HA ' HG21 ' A' ' 86' ' ' VAL . 22.3 mt -93.99 -48.04 6.43 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.432 -178.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.76 159.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 111.583 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' HB2' ' A' ' 82' ' ' ALA . 46.2 mt-10 -105.36 153.64 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.277 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.3 109.49 16.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.762 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -111.64 104.82 13.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 42.7 ttp85 -81.68 133.0 35.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 0.0 110.471 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -124.35 103.32 8.14 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.62 -104.31 1.43 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.579 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.6 m -106.66 -22.14 12.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -105.34 158.13 16.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.126 0.489 . . . . 0.0 111.326 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 89.9 mt-30 -112.73 133.3 54.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.617 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -98.7 130.98 45.21 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 44.9 m-85 -111.5 149.0 31.96 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.044 0.449 . . . . 0.0 110.234 176.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -157.88 146.98 19.55 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.317 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.88 126.64 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . . . -67.47 -77.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.106 0.479 . . . . 0.0 111.623 -172.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -101.42 158.01 18.83 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.322 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 9.2 pt-20 -70.07 -16.66 63.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -47.2 83.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 0.0 110.349 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 67' ' ' LEU . 62.5 t -66.07 -45.21 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.565 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.51 83.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.837 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 49.1 mtt180 -65.19 -41.16 94.82 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.521 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.43 -43.87 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.845 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.4 -48.29 81.12 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -68.92 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 tt -62.73 -51.63 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.75 -31.27 52.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.185 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.7 t -64.77 -41.73 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 92' ' ' LEU . 83.6 t -55.28 -51.53 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.6 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 101' ' ' LEU . . . -64.99 -31.22 72.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.93 -49.21 48.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.379 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -72.58 -35.21 67.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.839 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -74.89 -10.35 59.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.265 0.555 . . . . 0.0 110.263 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.544 HD23 ' CE1' ' A' ' 103' ' ' HIS . 21.6 tp -87.32 -0.79 57.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.234 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 87.07 -87.29 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.129 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.544 ' CE1' HD23 ' A' ' 101' ' ' LEU . 21.4 m80 65.28 19.78 11.74 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -84.85 127.98 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.639 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.7 m170 52.09 34.2 13.65 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.654 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -108.41 1.27 21.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.358 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 64.63 -153.47 0.29 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -175.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.234 179.453 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.76 174.23 0.25 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.379 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.04 -43.08 1.34 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.861 -176.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -136.75 135.41 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m 58.82 34.44 23.7 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.979 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -83.44 -13.44 54.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.558 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -25.83 66.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -175.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.53 -49.68 75.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.29 83.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.321 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 15' ' ' VAL . 54.2 tp -72.58 -44.82 61.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.799 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.41 -35.06 76.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.13 -42.06 96.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.884 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 53.1 tp60 -68.56 -40.91 80.42 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.207 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 11' ' ' LEU . 41.6 t -62.89 -35.17 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.708 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.908 ' HA ' ' HB2' ' A' ' 24' ' ' ASN . . . -61.0 -33.23 72.93 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' B' ' 17' ' ' ARG . 2.4 tpm_? -58.9 -52.69 64.66 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.391 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.48 -47.25 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.016 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.744 ' HA3' ' ND2' ' A' ' 24' ' ' ASN . . . -60.92 -47.33 91.81 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.245 -176.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' B' ' 20' ' ' LYS . 31.0 mtpt -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.994 0.397 . . . . 0.0 111.304 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.97 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.552 HD21 HD11 ' B' ' 67' ' ' LEU . 97.6 mt -75.59 -22.26 57.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.1 84.62 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.236 0.541 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.427 ' OD1' ' HB3' ' B' ' 27' ' ' ARG . 9.1 p30 -158.84 151.69 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.532 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.544 ' HA2' ' HB2' ' A' ' 16' ' ' ALA . . . -102.04 -80.19 1.46 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.432 -0.889 . . . . 0.0 113.173 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.6 -12.49 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.427 ' HB3' ' OD1' ' B' ' 24' ' ' ASN . 43.2 ttm180 -70.08 -18.1 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.104 0.478 . . . . 0.0 110.468 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.22 -12.82 61.07 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.515 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.33 -32.55 70.19 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.211 0.529 . . . . 0.0 109.845 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.75 -48.9 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.045 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.09 -33.1 73.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 10.1 t70 -61.79 -51.48 68.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.529 . . . . 0.0 110.013 174.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.52 -38.31 89.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.4 mm? -75.25 -24.13 57.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.981 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -21.89 61.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 54.5 mt-30 -88.55 -12.83 41.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.713 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.78 164.5 13.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.628 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.8 OUTLIER -81.04 139.07 35.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.511 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -142.72 157.95 44.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.477 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -79.49 158.87 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.9 -43.33 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.886 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 41.1 tt0 -61.07 -39.75 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.178 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.85 73.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.973 0.416 . . . . 0.0 110.668 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.55 -46.99 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.861 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.427 ' HB3' HD23 ' B' ' 52' ' ' LEU . . . -64.69 -47.56 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.598 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -63.17 -43.24 98.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.219 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.52 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.719 0.295 . . . . 0.0 111.588 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.5 p -86.53 -15.99 38.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.502 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.38 28.58 32.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.648 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.5 mtm -118.28 170.84 8.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.826 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.5 158.54 28.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 73.5 mt -63.57 -39.75 95.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.907 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.7 m -67.65 -34.81 77.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.974 0.416 . . . . 0.0 110.551 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -69.14 -44.36 72.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.063 0.459 . . . . 0.0 110.398 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -61.61 -49.53 76.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.262 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.3 p -62.0 -36.53 81.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.547 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.77 91.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.747 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -69.94 -36.51 75.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 97.1 mt -64.61 -39.38 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.408 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.75 -41.2 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.56 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.3 -34.21 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -69.7 -33.75 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.0 m -71.16 -22.53 62.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.461 . . . . 0.0 110.511 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.57 -10.55 70.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.311 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.91 18.23 54.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.708 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.552 HD11 HD21 ' B' ' 22' ' ' LEU . 3.7 mm? -83.92 -49.91 8.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.07 155.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 111.273 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -114.05 169.81 8.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.79 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.31 118.68 29.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.065 0.459 . . . . 0.0 111.44 -176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -104.8 157.13 17.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.734 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -131.02 118.1 20.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.766 0.317 . . . . 0.0 110.812 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.27 103.96 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.141 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.89 -109.21 2.73 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.325 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.8 m -107.23 0.64 23.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.611 0.719 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -101.83 144.47 30.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 78.1 mt-30 -116.0 108.91 16.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 173.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -94.31 124.58 38.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.632 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.86 148.65 24.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' B' ' 34' ' ' LEU . 42.0 ttt-85 -152.95 156.25 38.53 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 44.3 mm -55.47 132.19 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -47.68 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -146.67 167.16 28.18 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.468 -178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 37.8 tt0 -65.85 -33.96 77.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.04 -41.05 91.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.632 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' B' ' 67' ' ' LEU . 48.8 t -70.01 -39.66 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.136 0.493 . . . . 0.0 110.436 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.18 96.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 57.5 mtp180 -72.94 -24.13 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.512 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.03 -45.48 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.405 ' HA ' HG12 ' B' ' 93' ' ' VAL . 91.7 t80 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.181 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.41 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.56 -41.62 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.21 -46.86 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 90' ' ' PHE . 10.7 p -66.31 -28.21 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.67 -42.56 99.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.643 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 91' ' ' ALA . 89.4 t -62.04 -40.12 86.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' B' ' 100' ' ' HIS . 61.2 t -64.01 -28.14 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.174 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.59 -30.7 14.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.749 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.51 -70.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 111.442 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -67.13 -43.11 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.337 0.589 . . . . 0.0 110.959 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 96' ' ' VAL . 39.1 t-80 -74.2 -14.65 60.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.893 -172.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.667 ' HG ' ' HG2' ' B' ' 102' ' ' GLU . 53.3 tp -84.04 -66.76 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.199 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.667 ' HG2' ' HG ' ' B' ' 101' ' ' LEU . 9.7 pt-20 -174.2 -153.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.103 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' B' ' 102' ' ' GLU . 21.6 t-80 70.12 14.23 7.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.399 0.618 . . . . 0.0 110.643 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -86.34 -18.61 31.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.13 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -119.57 5.41 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.326 0.584 . . . . 0.0 110.435 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -76.57 138.22 40.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -60.69 -34.06 73.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.531 -172.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.916 177.072 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.56 -58.22 0.56 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.886 0.741 . . . . 0.0 112.264 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.87 -110.28 1.48 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.982 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -139.1 144.69 38.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -136.7 122.96 20.54 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -100.98 8.61 42.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.068 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 4.6 mmp_? -57.15 -56.43 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.071 -173.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.9 -33.93 59.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.882 0.372 . . . . 0.0 110.465 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.43 87.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.9 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.188 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 77.1 mt -67.72 -47.25 69.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 109.972 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 15' ' ' VAL . 90.2 mt -69.36 -31.49 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.807 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.67 -44.85 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -65.63 -44.09 87.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.509 HG12 HG22 ' B' ' 93' ' ' VAL . 30.3 m -67.42 -32.01 55.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.011 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -70.06 -39.07 75.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.83 -45.32 78.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 176.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 67' ' ' LEU . 60.7 t -62.42 -45.26 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.519 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.45 92.39 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.487 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 61.3 mtpt -62.01 -37.98 86.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.974 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.4 72.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.234 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.1 mt -85.56 -3.87 58.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.784 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.36 16.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.485 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.9 t-20 -142.21 118.46 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 29' ' ' GLN . . . -61.43 -33.6 85.28 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.607 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.87 -24.35 64.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.911 0.355 . . . . 0.0 111.135 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -81.82 -31.49 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.389 0.614 . . . . 0.0 109.392 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 79.4 mt -71.13 -28.85 64.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.728 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 76.6 mt-30 -59.39 -33.54 71.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.189 0.519 . . . . 0.0 109.932 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.9 mt -70.32 -43.77 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.38 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.1 -37.8 78.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.03 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.88 -49.72 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.249 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 85.8 mt -58.28 -39.92 80.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.88 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 57.7 mt -76.97 -13.61 59.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.237 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.8 49.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.99 -37.49 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.51 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 34' ' ' LEU . . . 173.64 -173.95 45.98 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 144.81 35.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.198 0.523 . . . . 0.0 110.615 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -137.7 131.75 31.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.501 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.28 159.34 33.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.736 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.7 t -48.57 -41.93 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.471 0.482 . . . . 0.0 111.217 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.77 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.234 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.39 94.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.43 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.447 HD13 HD21 ' A' ' 59' ' ' LEU . 82.8 mt -61.05 -47.53 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.251 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.14 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.139 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -61.77 -45.26 94.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.32 66.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.2 p -98.45 -14.76 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.116 0.484 . . . . 0.0 111.181 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 32.78 47.76 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.95 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.4 mtm -118.19 172.16 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -85.46 158.4 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -57.77 -41.59 82.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.402 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -70.31 -38.98 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.956 0.408 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.3 m -59.21 -48.53 81.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.149 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.95 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.544 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 37.2 t -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.622 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.23 77.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.077 0.465 . . . . 0.0 110.897 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.49 -42.85 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.686 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 44' ' ' ILE . 90.2 mt -64.63 -37.29 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.344 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 56' ' ' SER . 77.1 mt-30 -60.66 -44.51 96.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.681 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.68 81.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 0.0 110.255 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.67 -39.07 87.05 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.668 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -69.62 -42.81 73.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.649 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.8 p -68.62 -22.23 64.44 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 111.259 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.28 -16.49 78.71 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.412 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.18 18.88 58.45 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.068 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 18' ' ' VAL . 7.8 mp -89.83 -39.21 13.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.86 158.03 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.009 0.433 . . . . 0.0 111.69 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 38.1 mt-10 -116.19 158.27 23.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.033 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.94 109.45 20.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.598 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.789 ' HE ' ' HA ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -98.19 106.14 18.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.853 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -89.79 110.06 21.0 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.098 0.475 . . . . 0.0 110.052 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.45 107.61 15.77 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.09 -116.83 5.42 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -110.23 -2.05 17.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.165 0.507 . . . . 0.0 109.976 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -102.11 140.09 36.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.565 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -112.98 116.47 30.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.873 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.2 m-85 -100.76 131.16 46.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.001 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.26 146.4 27.58 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 0.0 110.339 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -153.17 162.96 40.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.599 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -59.92 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.23 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.323 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.51 166.5 28.67 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.908 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -54.42 -35.95 63.47 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.465 0.306 . . . . 0.0 111.093 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.575 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 33.9 t70 -63.87 -38.39 90.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 67' ' ' LEU . 44.2 t -67.51 -37.21 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.164 0.506 . . . . 0.0 109.73 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.39 86.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.096 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 62.0 mtp180 -56.05 -40.78 74.03 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.51 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.16 -51.23 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.498 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -66.04 -36.58 83.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.049 0.452 . . . . 0.0 110.763 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.47 -40.62 89.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 57.0 tp -64.46 -48.62 74.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -177.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.93 -32.0 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.485 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -67.24 -44.76 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.501 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 91' ' ' ALA . 92.9 t -61.96 -47.14 94.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.332 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.511 HG13 ' HB2' ' B' ' 85' ' ' ASP . 92.5 t -55.04 -45.78 76.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.081 176.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.558 ' HA ' ' CE1' ' A' ' 100' ' ' HIS . . . -57.66 -53.88 53.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.898 177.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.29 -48.87 67.99 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 111.913 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.61 -38.05 68.94 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 97' ' ' ALA . 14.7 p-80 -95.51 -26.11 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.981 -0.687 . . . . 0.0 111.598 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 58.1 tp -74.54 -57.63 3.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.584 0.231 . . . . 0.0 111.134 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -83.68 82.95 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.569 0.7 . . . . 0.0 110.253 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -68.28 119.94 13.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.892 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -65.4 129.83 41.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.962 -172.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -144.56 -0.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.353 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -83.29 121.55 27.27 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.945 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -76.49 -33.05 58.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.435 0.636 . . . . 0.0 109.353 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--O 1.244 0.799 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.705 176.492 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.24 29.86 18.92 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.605 0.566 . . . . 0.0 111.306 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 93.99 -134.71 12.19 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.491 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -133.28 -2.39 3.14 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.751 0.31 . . . . 0.0 110.371 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m 71.71 -60.97 0.5 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.398 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 74.7 -14.64 0.71 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.857 0.863 . . . . 0.0 112.82 170.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -71.18 -42.44 69.03 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -172.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.8 -49.95 75.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.112 0.482 . . . . 0.0 110.043 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.07 72.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.241 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -61.25 -37.96 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.59 -38.82 77.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.06 0.457 . . . . 0.0 110.098 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.33 -29.7 68.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.14 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.48 -35.93 58.12 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.537 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 85.3 mm-40 -64.9 -44.59 89.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.929 0.395 . . . . 0.0 110.82 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.464 HG23 HD13 ' A' ' 28' ' ' LEU . 27.6 m -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.511 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -72.83 -37.96 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.218 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -57.72 -51.68 68.55 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.51 -33.12 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.68 98.54 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.909 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 94.5 mttt -59.31 -37.53 77.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.849 0.357 . . . . 0.0 110.64 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.46 -25.78 54.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.393 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.45 -28.38 31.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 78.11 2.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.712 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 22.9 t-20 -179.33 99.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.787 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . -61.62 -23.92 63.51 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 114.218 -172.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -71.34 -48.33 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.328 0.564 . . . . 0.0 111.864 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.43 ' HD3' ' OD1' ' B' ' 58' ' ' ASN . 5.3 ptt180 -82.67 -8.65 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.833 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 79.7 mt -66.27 -20.89 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.218 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -60.93 -29.34 69.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.345 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.7 mt -68.48 -44.46 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.257 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.13 -40.35 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.435 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.07 -36.42 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 53.6 tp -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.25 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.487 ' HB3' ' HA ' ' B' ' 80' ' ' ARG . 64.6 mt -82.91 -6.94 59.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.357 . . . . 0.0 111.394 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.01 -14.16 56.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.086 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 11.6 pt20 -105.87 4.02 29.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.985 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.13 167.83 15.13 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.352 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' B' ' 80' ' ' ARG . 8.9 pt-20 -79.73 120.06 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.185 0.517 . . . . 0.0 110.574 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 39' ' ' ARG . 23.6 mmt180 -115.8 145.25 42.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -77.73 158.87 29.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.99 -36.13 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 123.408 0.442 . . . . 0.0 111.508 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.463 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.1 mt-10 -60.47 -51.96 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.533 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.56 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.691 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.78 -51.67 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -57.92 -48.0 81.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.154 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.85 -47.27 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.6 66.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.997 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.433 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 32.5 p -98.38 -6.05 31.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.97 36.31 36.37 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.724 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.433 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 24.2 ptp -133.57 174.94 9.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.746 0.308 . . . . 0.0 110.698 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -90.21 158.09 17.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.317 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.463 HD21 ' HG2' ' B' ' 42' ' ' GLU . 10.0 mp -53.02 -43.71 66.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.616 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.3 m -65.36 -40.87 94.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.863 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 15.3 m -62.42 -44.87 95.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.267 0.556 . . . . 0.0 110.133 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -63.3 -48.81 76.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.729 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 26.0 t -55.59 -41.34 73.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.024 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.01 83.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.43 ' OD1' ' HD3' ' B' ' 27' ' ' ARG . 45.6 m-80 -67.77 -36.67 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 95.4 mt -62.92 -37.56 87.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.936 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -32.85 72.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.758 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.51 -40.93 76.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.709 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 0.0 110.587 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -72.73 -38.01 67.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.754 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -72.68 -28.23 62.57 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.1 -23.37 77.21 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.578 171.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.01 25.5 14.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.546 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.53 HD12 HG13 ' B' ' 86' ' ' VAL . 3.1 mm? -92.88 -49.2 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.546 -177.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.92 156.93 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.248 0.547 . . . . 0.0 112.214 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.419 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 38.5 mt-10 -113.83 163.97 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.13 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.77 130.51 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.999 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -125.05 112.51 16.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.715 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -92.1 120.28 32.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -131.63 125.59 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.0 0.428 . . . . 0.0 110.28 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.82 -101.12 1.27 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -131.34 -1.14 3.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -109.35 148.69 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 -175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -108.67 124.5 50.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.91 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 53.3 m-85 -99.51 126.1 45.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.039 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.424 ' CD1' HD13 ' B' ' 59' ' ' LEU . 53.7 m-85 -111.96 148.8 32.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.619 ' HB3' ' HA ' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -162.04 163.36 28.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.9 mm -56.4 129.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.561 0.538 . . . . 0.0 109.732 175.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.419 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -53.86 -71.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.664 0.603 . . . . 0.0 112.022 -175.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.46 -154.78 6.98 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.283 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.53 ' HG3' ' HD2' ' B' ' 88' ' ' ARG . 6.6 tp10 -59.98 -46.39 89.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.039 -0.58 . . . . 0.0 110.921 -175.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ASP . . . . . 0.511 ' HB2' HG13 ' A' ' 96' ' ' VAL . 12.3 p-10 -56.3 -44.71 80.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.82 -176.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.53 HG13 HD12 ' B' ' 67' ' ' LEU . 54.3 t -69.36 -44.68 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.98 0.419 . . . . 0.0 111.178 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.97 92.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.13 -177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.53 ' HD2' ' HG3' ' B' ' 84' ' ' GLU . 55.9 mtp180 -64.52 -43.11 95.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.21 -55.97 17.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.526 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.07 -44.37 80.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.197 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 96' ' ' VAL . 49.6 tp -61.4 -46.58 89.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.118 -176.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.509 HG22 HG12 ' A' ' 15' ' ' VAL . 9.2 p -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.675 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -70.26 -37.38 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 91' ' ' ALA . 73.4 t -62.99 -46.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 177.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 93' ' ' VAL . 7.5 m -65.37 -25.66 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.696 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.18 -54.02 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.11 -48.07 77.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.934 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -69.71 -24.84 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.412 . . . . 0.0 110.962 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' B' ' 96' ' ' VAL . 19.6 m-70 -90.21 -2.96 58.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.754 0.311 . . . . 0.0 111.171 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 5.4 tp -82.02 -15.21 54.4 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -72.87 130.67 40.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.439 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' B' ' 104' ' ' HIS . 8.9 t-80 -119.96 28.09 8.29 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' B' ' 103' ' ' HIS . 27.8 t-80 73.36 66.13 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.356 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -109.6 15.12 23.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.769 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -81.1 83.14 6.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.746 0.308 . . . . 0.0 111.248 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -165.35 102.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.983 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.122 -0.942 . . . . 0.0 109.667 176.117 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.35 -62.28 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.67 178.11 18.91 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 6' ' ' ASP . 50.6 tt0 -130.59 -81.67 0.54 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.927 0.364 . . . . 0.0 110.617 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t 71.57 -33.56 0.27 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.674 0.789 . . . . 0.0 112.01 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 4' ' ' GLN . 21.4 t70 -60.79 -15.16 26.81 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 122.914 0.486 . . . . 0.0 111.776 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -57.58 -40.78 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.404 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.68 -32.0 69.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.311 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.458 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.64 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.2 -45.26 63.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.226 0.536 . . . . 0.0 109.734 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HB3' HD12 ' B' ' 28' ' ' LEU . 87.4 mt -67.12 -30.73 70.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.447 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.38 -41.06 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.12 -41.53 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.442 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -58.94 -37.96 77.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.473 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -67.08 -41.77 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.311 -0.156 . . . . 0.0 111.342 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.86 -51.0 77.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.45 0.643 . . . . 0.0 110.023 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.31 77.67 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 51.3 tttm -67.91 -34.8 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.771 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.9 -34.86 64.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.551 ' HG ' HD21 ' A' ' 28' ' ' LEU . 8.9 tt -80.55 -17.49 51.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.75 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.11 98.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -175.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.728 ' HA ' ' HB1' ' B' ' 16' ' ' ALA . 27.2 t-20 65.99 104.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.529 172.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.71 149.04 6.11 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.127 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.17 -4.49 53.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG2' ' OD1' ' A' ' 58' ' ' ASN . 96.0 mtt180 -56.86 -21.27 28.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.141 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD21 ' HG ' ' A' ' 22' ' ' LEU . 88.1 mt -65.21 -13.76 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.349 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.13 -25.62 68.17 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.5 mm -64.43 -52.59 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.91 -36.94 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.406 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.77 -46.28 87.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.488 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 38.4 tp -69.3 -37.34 77.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.003 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.9 mt -76.8 -16.68 59.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 0.0 111.246 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -14.6 61.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.222 0.534 . . . . 0.0 110.157 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.479 ' OE1' HD12 ' A' ' 33' ' ' LEU . 81.0 mt-30 -86.89 -24.77 24.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.594 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.79 173.76 24.81 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.8 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.566 ' HG3' ' HB2' ' A' ' 80' ' ' ARG . 44.0 tt0 -71.46 128.51 36.08 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 37.9 mmt180 -119.58 148.77 42.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -175.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -82.22 156.72 24.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 77' ' ' GLN . 66.5 t -53.51 -46.05 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.729 0.3 . . . . 0.0 111.501 -177.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.64 -43.58 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.178 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.59 98.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.572 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.4 mt -60.01 -48.85 86.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.456 177.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.85 42.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.9 m -59.56 -47.82 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.14 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.6 p -85.33 -16.89 38.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.86 0.362 . . . . 0.0 111.299 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.8 16.79 53.99 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.7 mtm -109.89 178.55 4.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.68 0.276 . . . . 0.0 110.376 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -105.27 169.5 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.83 -45.95 88.82 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -62.06 -48.37 80.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 0.0 111.569 -176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.4 m -66.42 -39.96 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.561 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -60.75 -50.19 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.684 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -60.07 -36.73 78.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.054 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.79 76.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' OD1' ' HG2' ' A' ' 27' ' ' ARG . 40.3 m-80 -68.83 -36.7 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 97.6 mt -59.22 -46.51 88.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.57 -44.0 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.55 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.273 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.61 -28.38 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.62 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 56.6 tttm -72.14 -35.8 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.364 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 m -65.68 -32.92 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.26 -24.48 76.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.938 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.25 21.52 17.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.607 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.23 -42.13 14.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.431 . . . . 0.0 111.177 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -123.37 158.12 28.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 112.16 -174.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -119.9 171.4 8.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.617 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.79 131.84 29.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.907 0.384 . . . . 0.0 111.876 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -127.56 124.1 37.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 4.3 ptm180 -98.72 138.65 35.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.555 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.84 103.45 6.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.086 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.74 -105.98 1.8 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.081 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -107.97 -16.45 14.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.201 0.524 . . . . 0.0 110.096 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -94.15 158.38 15.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.702 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 64.2 tt0 -132.9 123.82 26.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.396 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 55.8 m-85 -100.15 135.12 42.07 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -109.3 137.4 47.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HB2' ' HG3' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -145.72 146.62 31.32 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -174.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.559 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 52.5 mt -54.16 131.61 16.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -41.18 -47.39 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.12 177.64 37.4 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.36 -33.8 75.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.61 -46.86 77.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.109 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 82' ' ' ALA . 25.0 t -79.25 -32.74 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.5 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HA ' HG21 ' A' ' 81' ' ' ILE . . . -63.66 -46.14 86.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.038 0.447 . . . . 0.0 110.195 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 88' ' ' ARG . 52.5 mtt180 -70.95 -22.78 62.17 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.019 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.09 -48.18 77.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.75 -38.43 86.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.33 -46.44 80.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.0 tt -60.27 -47.87 84.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.967 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.48 -31.28 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.503 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 92.3 t -66.05 -42.47 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.232 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.599 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 73.3 t -52.91 -37.56 26.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.487 ' O ' ' HG ' ' A' ' 101' ' ' LEU . . . -82.19 -73.3 0.4 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.238 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.96 -47.66 82.26 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -169.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 10.7 tp10 -72.9 -40.52 65.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.238 -174.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 23.5 m-70 -84.03 -26.12 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.732 -173.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 97' ' ' ALA . 94.1 mt -73.15 -27.5 61.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 67.35 163.24 0.19 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.345 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -104.09 80.22 1.71 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.952 174.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -80.09 161.56 25.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.432 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -66.02 133.02 49.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 173.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -61.16 106.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.013 0.435 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -129.74 18.66 5.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.468 176.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 . . . . . 0 C--O 1.246 0.878 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.856 179.176 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtm . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.28 159.3 32.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.921 0.391 . . . . 0.0 111.27 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.85 48.8 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.405 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.401 ' HB3' ' OD1' ' B' ' 6' ' ' ASP . 31.7 mm-40 -97.7 100.42 11.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.671 0.272 . . . . 0.0 110.782 -177.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m -92.96 10.48 31.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.077 0.465 . . . . 0.0 110.404 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.5 ' HA ' ' HB3' ' B' ' 9' ' ' ALA . 18.5 p-10 -66.45 -25.42 66.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.781 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -51.93 -51.46 56.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.981 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -27.28 21.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -177.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' B' ' 6' ' ' ASP . . . -63.82 -35.37 80.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.77 71.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.952 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.65 -43.84 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.92 -37.54 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.41 -45.77 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.312 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.46 ' HG2' HD11 ' A' ' 101' ' ' LEU . 57.9 tp60 -63.4 -44.36 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.115 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -67.41 -30.31 48.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.068 0.461 . . . . 0.0 110.246 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.728 ' HB1' ' HA ' ' A' ' 24' ' ' ASN . . . -70.55 -32.56 70.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.127 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.28 -43.3 78.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.137 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.89 -46.82 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.023 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.82 -31.6 80.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.637 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.52 -45.44 92.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.72 0.295 . . . . 0.0 110.757 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.33 -18.88 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.31 -32.51 29.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.617 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.25 84.37 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.667 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 19.1 t-20 -173.08 112.73 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.27 172.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.96 95.53 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.853 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -62.58 -38.45 90.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.458 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' B' ' 24' ' ' ASN . 40.9 ttm180 -78.1 -26.52 48.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.675 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 90.3 mt -62.01 -23.93 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -62.1 -32.38 72.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.056 0.455 . . . . 0.0 110.441 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.45 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.8 mt -67.03 -44.81 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.258 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.72 -36.02 82.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.896 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.73 -43.14 94.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.107 0.479 . . . . 0.0 110.211 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.76 -35.07 76.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 73.4 mt -83.55 -8.46 59.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 0.0 111.597 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -7.86 53.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.685 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -114.33 5.39 15.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.95 -162.0 27.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.26 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.7 OUTLIER -96.79 137.15 36.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.768 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -136.21 144.44 44.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.0 149.23 46.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.87 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 77' ' ' GLN . 60.6 t -56.49 -39.21 60.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.309 0.38 . . . . 0.0 110.654 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 2.9 tm-20 -56.53 -47.82 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.472 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -38.76 81.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 40' ' ' ALA . 86.7 mt -61.14 -49.47 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.7 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.313 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.19 -22.06 63.93 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.7 p -96.97 -13.33 22.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.774 0.321 . . . . 0.0 111.228 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.94 39.28 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.044 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 68.7 mtm -118.7 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.0 110.479 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -98.55 160.33 14.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.561 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 92.7 mt -55.93 -45.33 78.78 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.23 0.331 . . . . 0.0 111.304 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -67.14 -35.9 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -65.77 -45.15 83.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 110.767 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.29 84.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.583 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -60.5 -38.42 84.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.65 85.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.935 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -68.34 -33.24 73.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' B' ' 79' ' ' TYR . 81.1 mt -66.22 -34.65 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -65.97 -36.22 82.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.147 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.16 93.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -36.08 82.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.927 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -65.57 -40.64 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.225 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -66.62 -30.9 71.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.439 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.91 -29.74 70.67 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.32 20.21 52.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.023 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.714 ' HB2' HG11 ' B' ' 86' ' ' VAL . 1.4 pt? -105.23 -1.78 24.92 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.81 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.53 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.975 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.469 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 42.1 mt-10 -119.19 151.09 38.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.52 137.28 46.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 11.2 mmm180 -124.4 127.3 47.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.82 109.29 20.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 104.04 11.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.29 -104.96 1.52 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 t -121.97 5.21 9.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.51 0.672 . . . . 0.0 109.547 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -95.01 145.14 25.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.166 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.44 ' O ' HG23 ' B' ' 41' ' ' VAL . 26.5 tt0 -112.0 117.83 33.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 30.2 m-85 -104.22 153.35 21.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.427 ' CD1' HD13 ' B' ' 59' ' ' LEU . 11.9 m-85 -128.26 157.85 39.78 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.306 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -158.9 172.07 18.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.458 HG22 ' H ' ' B' ' 83' ' ' GLY . 45.6 mm -76.45 134.38 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.469 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -69.0 -24.61 64.24 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLY . . . . . 0.458 ' H ' HG22 ' B' ' 81' ' ' ILE . . . -158.84 151.59 22.58 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.0 OUTLIER -61.14 -34.16 74.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.081 0.467 . . . . 0.0 110.308 178.376 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ASP . . . . . 0.548 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 5.3 t0 -63.27 -32.7 74.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.566 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.714 HG11 ' HB2' ' B' ' 67' ' ' LEU . 57.5 t -69.5 -40.7 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.98 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.41 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 89.5 mtt180 -63.27 -45.25 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.578 176.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.43 ' HB2' HD22 ' A' ' 92' ' ' LEU . 44.1 tp -58.69 -50.48 73.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.22 -46.56 85.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.908 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.505 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.8 -44.95 88.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.4 tt -60.02 -53.31 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.816 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.33 -31.15 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.038 0.447 . . . . 0.0 110.991 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -67.16 -41.56 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.119 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 91' ' ' ALA . 75.0 t -61.69 -47.5 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 175.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 92' ' ' LEU . 93.9 t -52.06 -45.94 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.815 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -63.4 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.63 -35.61 74.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 111.517 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.7 -53.69 31.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -73.88 -22.43 59.73 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.485 -175.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 97' ' ' ALA . 84.1 mt -77.94 78.28 4.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 168.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -53.23 108.49 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.43 -170.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -79.43 80.3 5.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.214 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -131.57 89.98 2.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 30.5 m80 69.77 -87.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.381 -176.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -143.91 -58.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.51 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 12.4 m170 56.02 52.79 9.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.486 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.118 -0.944 . . . . 0.0 109.877 178.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.436 0.16 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.76 86.41 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.647 0.592 . . . . 0.0 112.169 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.03 -3.07 0.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.939 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -104.38 175.3 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.029 0.442 . . . . 0.0 110.859 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -90.17 87.43 6.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.481 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -88.72 -26.56 21.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.276 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 47.4 mtt180 -61.37 -38.94 88.8 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.726 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -60.1 -54.8 41.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.4 92.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.62 64.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 7' ' ' ARG . 4.5 tt -72.2 -50.37 28.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' B' ' 28' ' ' LEU . 78.2 mt -64.79 -33.86 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.435 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.46 -53.47 57.75 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.6 pt20 -75.49 -35.7 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.797 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 12' ' ' LEU . 35.2 m -70.55 -31.34 46.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.452 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -68.13 -35.71 78.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -63.83 -39.52 94.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.521 176.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 14' ' ' GLN . 63.5 t -61.46 -43.81 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.2 -22.0 70.52 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.885 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.1 mtpt -71.99 -46.92 55.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.923 0.392 . . . . 0.0 110.286 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.41 69.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 110.049 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 18.6 tp -91.7 24.4 3.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.306 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HB3' HH21 ' A' ' 27' ' ' ARG . . . -78.57 15.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 110.323 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.678 ' CG ' ' HA ' ' B' ' 16' ' ' ALA . 27.4 m-80 70.88 -170.83 0.16 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.304 169.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.61 -157.3 15.03 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 26' ' ' ARG . 5.2 ptp180 -64.7 -22.74 67.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.967 0.413 . . . . 0.0 110.964 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.534 HH21 ' HB3' ' A' ' 23' ' ' ALA . 16.9 ptt180 -72.83 -10.21 59.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.46 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.62 HD11 ' OD1' ' A' ' 24' ' ' ASN . 30.3 mt -73.12 -30.07 63.35 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.307 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.58 -26.54 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.857 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.99 -49.79 41.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.952 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.64 -40.78 93.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.905 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.83 -40.43 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.807 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 tp -70.62 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.489 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.86 -31.25 70.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.64 -21.3 66.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.5 . . . . 0.0 110.595 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -95.96 -0.48 50.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.706 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.67 137.76 3.37 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.264 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.19 141.4 45.49 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -154.75 172.43 17.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 -171.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -76.37 163.21 27.21 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.317 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -59.67 -40.98 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.405 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 mp0 -57.45 -45.47 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.786 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.75 95.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.313 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.24 -48.47 88.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.002 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.8 87.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.326 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -67.49 -50.88 56.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.89 72.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -84.3 -25.46 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.485 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.67 16.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.952 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -125.32 175.74 7.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.133 0.492 . . . . 0.0 111.278 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -75.93 154.06 36.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.606 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 73.1 mt -54.95 -50.57 68.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -64.93 -32.45 74.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.686 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.5 m -65.69 -47.05 76.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.238 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.67 98.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.593 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 39.4 m -59.94 -42.17 93.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -64.48 -37.43 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.051 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 56' ' ' SER . 15.3 mm100 -63.39 -42.62 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.367 . . . . 0.0 110.093 177.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.44 86.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.246 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.611 ' HB3' HG22 ' A' ' 68' ' ' VAL . 6.0 mp -56.09 -43.94 78.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -70.56 -36.26 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -25.94 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.29 -15.67 68.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.524 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.73 49.92 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.687 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.38 -38.8 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.297 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 62' ' ' LEU . 22.2 m -134.04 162.64 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 111.598 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -124.76 166.09 16.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.49 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.03 150.03 48.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 111.702 -173.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 71' ' ' ARG . 63.6 mtm-85 -129.84 115.4 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.513 174.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -79.09 96.76 5.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 172.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.32 88.09 2.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.509 0.671 . . . . 0.0 110.382 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.62 -121.98 10.17 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.135 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -91.84 -5.73 52.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.618 0.247 . . . . 0.0 111.167 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.28 147.9 47.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.103 0.477 . . . . 0.0 110.842 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -114.94 124.36 51.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.653 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.1 m-85 -99.27 140.32 33.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.188 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -120.13 137.6 54.06 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.961 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -133.51 159.44 40.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.726 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 83' ' ' GLY . 54.9 mt -65.43 142.55 16.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -55.87 -24.45 37.09 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -176.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 81' ' ' ILE . . . 170.0 -172.3 43.77 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.201 176.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -70.82 -24.25 62.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.073 0.464 . . . . 0.0 110.091 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -65.34 -50.25 66.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.462 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.486 HG21 ' HB3' ' A' ' 82' ' ' ALA . 59.5 t -70.75 -37.6 69.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.659 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.38 86.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 111.02 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -78.03 -14.21 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.941 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.32 -47.23 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.35 -35.68 80.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.126 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.63 -37.68 85.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.9 tt -61.32 -52.59 64.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.08 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.416 HG22 HG12 ' B' ' 15' ' ' VAL . 7.1 p -67.35 -25.02 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.596 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.85 -42.6 85.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.028 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' ALA . 84.3 t -64.44 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.894 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 92' ' ' LEU . 98.9 t -53.63 -39.75 39.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.408 176.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.525 ' HA ' ' OE1' ' B' ' 14' ' ' GLN . . . -73.81 -60.56 2.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.98 -46.67 75.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -172.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 7.2 tm-20 -73.24 -48.02 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.669 0.271 . . . . 0.0 110.797 -176.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.0 -13.79 61.71 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.648 0.261 . . . . 0.0 110.969 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.6 tp -86.95 -7.4 58.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.871 0.367 . . . . 0.0 110.684 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 2.2 mm-40 -64.87 170.89 3.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.203 0.525 . . . . 0.0 111.359 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -70.86 98.8 1.63 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.287 -171.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -131.04 3.3 4.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.417 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -64.44 -61.36 2.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.803 177.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -171.86 101.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -98.71 48.87 0.97 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.292 0.567 . . . . 0.0 111.364 -170.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.834 178.304 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.99 11.39 7.03 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.816 0.698 . . . . 0.0 112.472 176.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.27 37.5 94.12 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.082 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -59.53 114.99 2.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.33 0.252 . . . . 0.0 110.899 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t 75.96 -16.61 0.59 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.014 0.821 . . . . 0.0 110.945 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -73.12 -28.68 62.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.004 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.29 -32.72 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.462 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -80.47 -38.55 29.73 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.89 93.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.553 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.64 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.832 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.92 -46.2 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.503 ' HA ' HG22 ' B' ' 15' ' ' VAL . 72.0 mt -70.61 -21.73 62.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.997 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.3 t70 -81.05 -38.51 27.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.55 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.525 ' OE1' ' HA ' ' A' ' 97' ' ' ALA . 33.5 tt0 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.503 HG22 ' HA ' ' B' ' 12' ' ' LEU . 34.0 m -66.44 -25.6 35.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.145 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.678 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -57.6 -47.08 83.15 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.313 175.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -60.67 -44.36 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.22 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.13 -56.41 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.698 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.529 ' HA3' HD21 ' A' ' 24' ' ' ASN . . . -62.35 -43.61 98.83 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.409 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -64.68 -26.66 68.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.889 0.376 . . . . 0.0 110.699 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.99 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.54 0.209 . . . . 0.0 110.442 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.452 HD23 HD21 ' B' ' 67' ' ' LEU . 99.1 mt -68.46 -34.29 75.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.61 50.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.629 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' B' ' 27' ' ' ARG . 10.9 p30 -97.83 -32.47 11.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.983 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.77 -99.88 2.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.709 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.38 -10.87 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -172.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.513 ' HB2' ' OD1' ' B' ' 24' ' ' ASN . 91.7 mtt180 -81.59 -10.9 59.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.303 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 12' ' ' LEU . 94.6 mt -67.65 -18.57 65.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.278 177.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -62.9 -29.12 70.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.144 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.52 -48.86 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.904 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.725 HD11 HD23 ' B' ' 67' ' ' LEU . 90.0 mt -61.32 -37.48 83.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.6 -48.07 83.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.623 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.06 -42.14 89.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.626 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.3 mm? -66.61 -30.34 70.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.776 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.07 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 110.501 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -97.68 -19.33 18.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.723 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.88 153.82 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.625 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -78.47 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.72 0.295 . . . . 0.0 110.338 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.625 ' HD2' ' O ' ' B' ' 38' ' ' GLU . 2.4 mpt_? -138.62 163.69 31.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.368 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.48 164.81 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -46.59 -45.67 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.526 ' HG2' HD21 ' B' ' 52' ' ' LEU . 47.3 mt-10 -59.46 -51.9 67.91 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.57 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.213 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.517 HG21 HD21 ' B' ' 59' ' ' LEU . 74.3 mt -60.64 -47.39 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.497 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.52 94.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.249 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.9 m -64.97 -48.8 72.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.216 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.02 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.74 -10.79 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 35.85 21.8 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.784 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.414 ' HB2' ' HB ' ' B' ' 54' ' ' THR . 24.1 ptp -130.78 -178.47 4.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -100.86 164.67 11.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.526 HD21 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -55.78 -41.06 73.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.259 . . . . 0.0 110.912 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.3 p -61.25 -46.49 90.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.34 0.59 . . . . 0.0 110.744 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 2.9 m -62.19 -49.03 77.4 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.405 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.205 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.5 t -53.97 -48.24 70.53 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.33 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.341 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -65.82 -44.23 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.517 HD21 HG21 ' B' ' 44' ' ' ILE . 82.5 mt -59.6 -49.07 79.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.531 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.33 -26.64 67.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 111.059 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -60.01 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.495 ' HG ' HG22 ' B' ' 68' ' ' VAL . 2.2 pt? -76.84 -12.3 59.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.221 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -68.52 -37.72 80.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.9 m -71.12 -30.65 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.242 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.58 -15.66 68.77 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.985 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.71 17.09 50.04 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.535 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.725 HD23 HD11 ' B' ' 31' ' ' LEU . 7.2 mp -86.97 -48.01 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.81 0.338 . . . . 0.0 111.328 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.495 HG22 ' HG ' ' B' ' 62' ' ' LEU . 31.0 m -116.84 159.74 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.224 0.535 . . . . 0.0 111.42 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.6 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -128.13 155.43 44.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.412 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.65 139.89 52.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.919 0.39 . . . . 0.0 111.801 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.532 ' HD3' ' NH1' ' B' ' 80' ' ' ARG . 28.7 mtp85 -136.13 130.98 34.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.06 174.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -86.23 105.66 16.77 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' B' ' 78' ' ' TYR . 51.9 mt-10 -120.23 128.82 53.71 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.39 -108.34 2.49 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -126.94 8.15 6.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.101 0.477 . . . . 0.0 111.07 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -132.21 156.37 46.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 111.303 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -97.01 120.3 37.1 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.471 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' B' ' 73' ' ' GLU . 72.2 m-85 -95.42 141.07 29.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.319 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.44 ' O ' HD11 ' B' ' 34' ' ' LEU . 27.7 m-85 -114.28 136.45 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.001 174.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.532 ' NH1' ' HD3' ' B' ' 71' ' ' ARG . 9.1 ptp85 -143.07 177.01 8.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.211 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' B' ' 87' ' ' ALA . 48.5 mm -67.78 135.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.6 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -58.23 -48.85 79.09 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.27 168.16 32.5 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.486 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -36.15 81.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.157 0.503 . . . . 0.0 110.76 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 67' ' ' LEU . 42.4 t -65.82 -40.28 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.424 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' B' ' 81' ' ' ILE . . . -62.54 -44.72 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -70.17 -22.78 62.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.458 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.467 HD23 HD22 ' A' ' 92' ' ' LEU . 3.1 tm? -68.18 -49.84 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -65.07 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.289 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.426 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.93 -43.58 82.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.442 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -47.26 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.096 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.525 ' HA ' HG12 ' B' ' 96' ' ' VAL . 22.5 m -65.77 -28.93 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.51 -48.82 59.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.15 0.5 . . . . 0.0 109.987 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.7 t -63.5 -48.25 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.392 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' B' ' 93' ' ' VAL . 12.5 p -62.11 -37.28 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -64.35 -52.27 59.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 110.492 178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.591 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.9 t70 -64.42 -35.16 79.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.043 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.09 -46.61 83.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.318 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -74.15 -23.32 59.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' B' ' 98' ' ' ASP . 71.8 mt -60.3 -66.63 0.49 Allowed 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 173.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 44.84 -91.94 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.477 1.111 . . . . 0.0 112.402 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -139.89 75.65 1.52 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.153 0.502 . . . . 0.0 109.737 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -71.47 87.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.905 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -163.74 -83.97 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.923 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -169.76 170.62 7.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.31 -61.49 1.99 Allowed 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.011 174.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 19.9 m80 . . . . . 0 C--O 1.245 0.831 0 CA-C-O 118.226 -0.893 . . . . 0.0 109.66 171.034 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.92 -47.09 0.61 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.657 0.783 . . . . 0.0 112.099 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.9 140.99 7.95 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -63.82 104.3 0.67 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.962 0.41 . . . . 0.0 109.994 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -70.25 123.35 21.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.385 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.63 -11.31 57.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.164 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 7' ' ' ARG . 24.1 ttt180 -65.24 -23.08 66.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.51 178.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.17 -30.76 71.85 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.616 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.05 70.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -34.65 76.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.167 0.508 . . . . 0.0 110.119 177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.66 -43.0 81.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.629 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.3 mt -63.71 -27.36 69.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.802 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.84 -51.02 62.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.141 0.496 . . . . 0.0 110.91 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.26 -31.11 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.964 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.629 HG22 ' HA ' ' A' ' 12' ' ' LEU . 29.9 m -71.43 -28.14 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.912 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.8 -35.7 80.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.052 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.86 -43.26 94.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.179 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -59.53 -44.5 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.878 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.73 -37.15 93.79 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.333 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 66.1 mttm -63.38 -30.29 71.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.626 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.77 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' B' ' 16' ' ' ALA . 70.3 mt -97.27 13.26 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.95 -6.49 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.64 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.3 p30 -136.87 138.86 41.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -83.82 -22.8 54.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.793 -172.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -74.71 -23.62 58.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.396 0.598 . . . . 0.0 112.38 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -85.39 -22.41 28.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.069 0.461 . . . . 0.0 109.995 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 80.5 mt -68.87 -20.81 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.037 176.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -56.3 -35.19 67.25 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.226 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.87 -42.37 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.413 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.72 -44.3 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.31 -34.98 77.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.407 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 tt -76.28 -39.2 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.813 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.12 -5.35 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.355 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.31 -11.35 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.022 0.439 . . . . 0.0 110.696 173.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -81.58 -21.25 38.54 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.32 -119.69 1.55 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.192 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.627 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -115.37 144.17 44.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.119 0.485 . . . . 0.0 111.653 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -145.75 148.31 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.755 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.75 154.33 30.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.568 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.75 -36.31 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.51 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.34 -49.67 75.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.154 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.69 -46.33 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.34 -47.93 80.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.93 87.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.044 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 m -62.71 -42.54 99.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.421 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.64 66.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.951 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 p -97.22 -3.06 41.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.824 0.345 . . . . 0.0 111.482 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.35 62.64 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.551 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -124.27 176.31 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -91.92 163.94 13.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.51 HD21 ' HG2' ' A' ' 42' ' ' GLU . 11.1 mp -61.54 -39.2 90.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.813 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -62.61 -46.61 87.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.3 m -61.17 -47.41 86.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.567 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.71 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.164 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.72 -35.96 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.968 -177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.81 87.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.124 0.488 . . . . 0.0 110.551 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -66.44 -41.39 89.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.325 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 79' ' ' TYR . 85.6 mt -63.49 -35.95 82.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.035 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.22 -38.93 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.44 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.78 -32.99 74.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -68.53 -41.78 79.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.41 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 t -68.6 -32.6 72.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.74 -16.96 79.09 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.267 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.13 28.03 19.07 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.254 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HA ' HG11 ' A' ' 86' ' ' VAL . 3.2 mm? -92.38 -53.26 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.494 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 81' ' ' ILE . 34.8 m -126.55 158.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 112.029 -174.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.95 172.9 6.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.408 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.6 132.85 44.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.045 0.45 . . . . 0.0 111.53 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -122.8 128.56 50.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.101 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -88.56 101.71 14.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.103 0.478 . . . . 0.0 110.071 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 1.1 tm-20 -107.15 113.86 27.55 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.02 -103.69 1.35 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.617 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -118.29 -16.8 9.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.088 0.471 . . . . 0.0 110.824 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -104.99 153.57 21.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.57 0.7 . . . . 0.0 112.033 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.4 117.54 31.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.203 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 74.6 m-85 -95.92 133.63 39.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.019 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.503 ' CD1' HD13 ' A' ' 59' ' ' LEU . 23.5 m-85 -108.57 139.74 42.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.28 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.627 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 48.6 ttp180 -147.97 145.82 28.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.422 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 83' ' ' GLY . 52.8 mt -61.73 129.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 -9.86 58.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -169.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -170.31 149.63 13.16 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.839 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.58 -29.94 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.877 0.338 . . . . 0.0 110.145 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.09 -43.86 67.13 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 173.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.489 HG11 ' HA ' ' A' ' 67' ' ' LEU . 60.8 t -65.25 -44.19 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.485 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.01 96.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.1 mtp180 -64.71 -34.97 79.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.002 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.79 -46.71 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.44 -38.84 85.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.85 -42.16 81.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.46 -52.73 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.506 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.12 -33.01 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.045 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.79 -43.24 80.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.853 0.359 . . . . 0.0 110.474 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 91' ' ' ALA . 99.0 t -68.49 -48.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.366 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 95.6 t -59.24 -39.04 77.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.1 77.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.658 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.36 66.4 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.83 -10.93 59.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.792 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -90.75 -22.95 20.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.863 0.364 . . . . 0.0 110.953 -178.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 pp -97.11 -1.7 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.773 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.6 107.06 0.19 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.666 0.604 . . . . 0.0 110.228 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -140.88 33.97 1.77 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.359 0.599 . . . . 0.0 110.692 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -125.54 -48.36 1.68 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 171.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -80.78 96.74 7.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.683 174.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -127.67 100.57 6.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.419 -177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -141.2 84.47 1.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.023 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.278 176.479 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.19 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.507 0.723 . . . . 0.0 111.57 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.68 -161.36 11.75 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.986 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -98.8 -4.26 33.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t 70.71 97.44 0.07 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.39 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.88 -17.5 63.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.436 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -70.78 -31.42 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.361 176.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -66.62 -27.95 68.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.528 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.671 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -30.85 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.555 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.46 -36.14 78.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.055 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.23 -30.77 69.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.612 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -77.74 -32.21 52.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.155 0.503 . . . . 0.0 110.025 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -63.99 -47.94 78.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.52 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.24 -25.87 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.434 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -65.81 -33.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -68.19 -36.85 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.976 0.417 . . . . 0.0 110.155 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 54.1 t -64.83 -49.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.036 175.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.52 -37.9 94.93 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.183 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -59.43 -38.19 80.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.057 0.456 . . . . 0.0 110.589 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.482 ' HB1' ' NH2' ' B' ' 27' ' ' ARG . . . -71.78 -27.86 63.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.566 ' HA ' HD21 ' B' ' 28' ' ' LEU . 79.0 mt -83.95 -17.44 40.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.76 -3.44 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -174.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.447 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 26.9 t-20 -87.06 -38.73 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 110.859 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 16' ' ' ALA . . . 81.94 -59.57 4.86 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.551 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.27 -42.93 99.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.84 0.352 . . . . 0.0 111.407 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.762 HH21 HD23 ' B' ' 62' ' ' LEU . 12.0 ptm180 -68.59 -11.16 59.64 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.881 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.566 HD21 ' HA ' ' B' ' 22' ' ' LEU . 55.7 mt -78.58 -16.36 57.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 -177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.53 -32.92 72.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.442 HG22 HD23 ' B' ' 34' ' ' LEU . 57.3 mt -66.26 -34.15 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.35 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.72 -37.18 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.293 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.67 -35.57 80.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.298 0.571 . . . . 0.0 110.471 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.465 ' HA ' ' NE2' ' B' ' 36' ' ' GLN . 51.0 tp -75.82 -29.06 58.53 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.719 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.5 mm? -82.4 -17.15 46.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.572 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.5 -0.51 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.424 0.63 . . . . 0.0 110.094 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' B' ' 33' ' ' LEU . 51.8 mt-30 -104.69 -1.53 26.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.222 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.78 -178.43 17.24 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.6 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.14 135.73 46.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -125.38 138.38 54.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.421 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -81.51 155.83 25.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.714 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 77' ' ' GLN . 72.5 t -52.8 -55.13 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 O-C-N 123.331 0.394 . . . . 0.0 111.851 -178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -63.31 -35.91 81.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.312 . . . . 0.0 110.809 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.42 83.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.447 HD13 HD21 ' B' ' 59' ' ' LEU . 87.6 mt -60.6 -46.26 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -54.09 44.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.158 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 m -66.34 -40.92 90.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.26 -28.17 67.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.479 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 31.9 p -100.37 -6.33 25.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.016 0.436 . . . . 0.0 111.158 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.31 35.87 56.16 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.425 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.479 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 23.4 ptp -122.18 169.6 10.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -86.9 162.12 17.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.34 -44.57 80.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.033 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.1 m -58.34 -40.83 83.23 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.1 m -67.44 -52.15 43.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.718 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.45 98.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.266 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -60.7 -42.05 96.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.839 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.78 85.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 110.768 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.2 m-20 -64.35 -43.08 95.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.447 HD21 HD13 ' B' ' 44' ' ' ILE . 95.9 mt -64.17 -42.05 96.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.423 . . . . 0.0 110.204 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.39 87.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.886 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.762 HD23 HH21 ' B' ' 27' ' ' ARG . 97.2 mt -64.06 -38.99 93.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.004 0.431 . . . . 0.0 110.74 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.31 -35.31 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -72.6 -29.89 63.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.34 -20.35 79.87 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.657 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.64 29.27 9.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.984 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.36 -35.19 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.834 0.317 . . . . 0.0 111.798 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 m -130.04 156.84 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 0.0 112.342 -173.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -119.44 176.98 5.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.332 173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.97 148.89 31.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.438 0.637 . . . . 0.0 112.654 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.603 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 13.8 mmm180 -124.23 96.25 4.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.965 173.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -86.86 133.37 33.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.443 ' HB3' ' HE1' ' B' ' 78' ' ' TYR . 37.9 tt0 -133.3 96.74 3.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.077 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.94 -116.46 9.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.751 -174.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.1 p -95.34 3.63 54.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 110.414 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.74 143.79 26.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.278 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.429 ' O ' HG23 ' B' ' 41' ' ' VAL . 53.4 mt-30 -124.61 103.85 8.37 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.052 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.576 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 23.1 m-85 -90.42 157.28 17.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' B' ' 59' ' ' LEU . 37.4 m-85 -121.82 162.17 21.4 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 174.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.603 ' HD2' ' HG2' ' B' ' 71' ' ' ARG . 15.8 ptm180 -153.88 155.62 36.05 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.42 134.26 29.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.71 -41.78 64.23 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -173.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.69 167.96 33.73 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.243 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.6 -40.82 96.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.79 -27.66 64.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.117 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.41 -37.13 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.286 0.565 . . . . 0.0 109.556 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.75 77.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.199 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 88' ' ' ARG . 45.2 mtp180 -59.84 -36.43 76.8 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.506 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 93' ' ' VAL . 8.1 tt -59.44 -56.52 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.914 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.422 ' HE1' ' HB3' ' B' ' 28' ' ' LEU . 90.4 t80 -58.66 -40.43 83.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.488 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -59.63 -52.08 67.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 89' ' ' LEU . 77.1 t -57.56 -53.64 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.293 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -75.46 -22.31 57.38 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.734 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 91' ' ' ALA . 35.7 t -68.68 -46.22 80.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.409 0.147 . . . . 0.0 110.948 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.27 -25.8 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.505 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.605 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -76.0 -66.87 0.74 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.4 175.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.51 -43.31 90.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.76 -24.06 62.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -85.75 -6.11 59.16 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.73 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 97' ' ' ALA . 92.0 mt -81.79 88.52 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.887 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -141.48 130.65 23.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.852 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -177.41 -16.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.635 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -72.71 -23.53 60.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -119.19 92.04 3.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.028 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -70.22 -28.53 65.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.284 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -101.88 130.08 48.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.876 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.181 178.588 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.96 161.18 37.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.436 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.86 -115.22 2.24 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 61.05 83.29 0.15 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.499 0.666 . . . . 0.0 111.202 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p -80.81 6.31 13.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.361 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.22 -25.66 67.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.383 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -69.51 -29.32 66.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.788 0.328 . . . . 0.0 110.47 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HA ' HD23 ' A' ' 11' ' ' LEU . 62.6 tttm -74.77 -25.17 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.368 0.604 . . . . 0.0 109.654 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.24 -16.11 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.46 63.62 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.024 0.44 . . . . 0.0 110.369 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 8' ' ' LYS . 2.3 mm? -77.42 -33.11 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' HA ' HG22 ' A' ' 15' ' ' VAL . 89.4 mt -70.64 -34.47 72.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.879 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.03 -37.47 87.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.858 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -67.4 -49.16 65.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.966 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' LEU . 27.5 m -68.28 -24.94 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.678 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -35.47 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 17' ' ' ARG . 15.4 ttp180 -64.93 -40.69 95.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.024 0.44 . . . . 0.0 109.954 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.32 -48.29 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.347 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.95 -35.58 92.26 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.273 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.79 -39.62 85.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.727 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.009 0.433 . . . . 0.0 110.816 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.499 ' HA ' HD21 ' A' ' 28' ' ' LEU . 96.8 mt -69.18 -34.46 74.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.7 16.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.458 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -83.72 -28.76 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.81 -83.67 1.58 Allowed Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.018 -0.611 . . . . 0.0 113.63 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -68.43 -20.13 64.63 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -170.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 60.7 mtt85 -83.32 -8.67 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.749 0.309 . . . . 0.0 111.639 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 22' ' ' LEU . 93.9 mt -70.17 -15.98 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.458 178.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -59.05 -35.37 73.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.381 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.2 -45.12 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.557 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.21 -38.18 85.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.108 0.48 . . . . 0.0 110.5 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.85 -34.14 76.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 54.0 tp -79.93 -23.94 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.463 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 79' ' ' TYR . 3.4 mm? -82.92 -11.75 57.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -25.39 66.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.746 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.9 pt20 -93.2 -2.88 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.13 -175.43 20.65 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.197 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -71.83 140.97 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 137.78 51.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.059 -174.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.53 152.91 40.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 77' ' ' GLN . 61.0 t -56.24 -44.12 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 1.3 mp0 -61.07 -41.82 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.323 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.16 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.778 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.516 HD13 HD21 ' A' ' 59' ' ' LEU . 79.2 mt -59.67 -48.57 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 177.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.07 67.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.822 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.0 m -57.61 -47.41 82.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.38 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.72 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.3 p -86.68 -5.22 59.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.689 0.28 . . . . 0.0 111.626 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 29.35 57.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.324 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.545 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 61.4 mtt -108.45 164.48 12.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -81.15 161.81 23.91 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -59.49 -38.85 81.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.756 0.313 . . . . 0.0 110.444 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -60.46 -45.24 94.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.578 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 1.0 OUTLIER -62.87 -53.83 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.713 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.2 -41.85 89.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.483 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 29.3 t -59.28 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.804 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 110.866 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.45 -38.86 74.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.547 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 44' ' ' ILE . 97.3 mt -66.24 -39.76 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.734 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 56' ' ' SER . 96.3 mt-30 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.473 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.48 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.4 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.89 -33.55 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.446 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.2 -35.38 68.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.02 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 t -70.37 -18.84 63.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.368 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.51 -24.73 41.81 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.628 171.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.26 11.29 42.62 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.713 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.37 -37.51 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.83 160.81 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 112.187 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.562 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 50.0 mt-10 -122.27 167.29 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.859 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.73 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.763 0.316 . . . . 0.0 111.321 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -142.98 135.44 27.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.406 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -92.71 141.9 27.95 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.018 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -140.07 132.53 28.55 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.91 -111.41 4.14 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -118.17 -5.14 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.891 0.377 . . . . 0.0 110.373 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 77.9 mtt-85 -94.56 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.973 -173.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' VAL . 50.2 tt0 -101.96 111.61 23.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.525 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.1 m-85 -97.61 141.34 30.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.427 ' CD1' HD13 ' A' ' 59' ' ' LEU . 21.6 m-85 -110.52 143.49 40.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.561 173.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 4.5 ptp180 -141.35 160.4 40.21 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.122 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.76 138.98 22.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.71 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -51.83 -43.22 63.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.5 173.73 41.23 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.468 -0.873 . . . . 0.0 111.821 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' HG3' ' CD ' ' A' ' 88' ' ' ARG . 6.6 tp10 -62.28 -39.08 91.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.013 0.435 . . . . 0.0 109.883 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.3 -36.25 75.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.71 HG21 ' HB3' ' A' ' 82' ' ' ALA . 46.5 t -73.53 -38.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.237 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.39 89.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.23 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' CD ' ' HG3' ' A' ' 84' ' ' GLU . 36.2 mtp180 -68.23 -27.34 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.193 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.39 -51.24 66.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.16 -38.16 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.34 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.46 -47.56 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.193 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.55 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.402 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.46 ' HB ' HD11 ' B' ' 89' ' ' LEU . 14.9 p -64.51 -32.23 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.731 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.498 ' HG3' HD21 ' B' ' 11' ' ' LEU . 9.8 tt0 -68.76 -41.78 78.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.225 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 89.4 t -61.76 -52.15 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.901 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.82 -43.34 67.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 121.032 0.444 . . . . 0.0 110.596 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 101' ' ' LEU . . . -62.53 -54.37 40.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.794 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.49 -38.48 69.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.949 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 95' ' ' VAL . 44.9 mt-10 -65.64 -54.38 28.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.203 0.525 . . . . 0.0 111.144 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -82.02 -20.17 38.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -168.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 97' ' ' ALA . 48.5 mt -66.77 -23.15 66.04 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.536 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.91 -18.45 15.69 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.066 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -74.86 84.86 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -93.12 -169.85 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.948 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -78.98 94.88 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.8 0.334 . . . . 0.0 110.796 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 61.0 m170 60.07 -142.55 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.954 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -134.79 147.42 49.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.125 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.644 174.754 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.72 151.22 50.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.252 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.26 130.68 3.19 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.212 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -114.73 -80.91 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.624 0.25 . . . . 0.0 111.421 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -123.64 -29.43 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.801 0.334 . . . . 0.0 111.647 -173.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -64.9 -21.82 66.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.913 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -77.21 -29.15 54.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.081 0.467 . . . . 0.0 110.512 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -73.56 -32.57 64.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.983 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.73 -40.93 66.54 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.421 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.5 98.72 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 111.011 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.498 HD21 ' HG3' ' A' ' 94' ' ' GLN . 39.2 tp -71.89 -41.12 68.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.847 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.39 -34.03 77.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.657 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.86 -48.53 81.04 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.681 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.523 ' O ' HG23 ' B' ' 18' ' ' VAL . 22.6 tp60 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.644 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.77 -47.6 87.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.542 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.13 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 17' ' ' ARG . 19.8 ttt180 -62.91 -39.85 95.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 14' ' ' GLN . 60.8 t -64.83 -47.01 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.957 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.81 -33.69 87.67 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.348 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -63.28 -37.16 86.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.76 64.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.989 0.423 . . . . 0.0 110.618 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.638 ' HA ' HD21 ' B' ' 28' ' ' LEU . 92.1 mt -80.42 -26.66 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 78.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.481 0.658 . . . . 0.0 111.798 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -162.31 -52.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.942 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.86 -72.02 0.21 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.842 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -83.31 -12.33 56.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.435 -0.45 . . . . 0.0 111.959 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.09 -22.24 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.264 0.554 . . . . 0.0 109.609 169.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.638 HD21 ' HA ' ' B' ' 22' ' ' LEU . 42.3 mt -80.74 -9.06 59.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.649 -177.385 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -58.3 -30.6 66.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.135 0.493 . . . . 0.0 109.687 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.0 mt -65.42 -47.5 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.288 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.507 HD12 HD22 ' B' ' 28' ' ' LEU . 87.4 mt -60.41 -43.19 96.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.022 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.45 -42.58 98.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.187 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.14 -43.21 99.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.697 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 75.8 mt -72.94 -18.97 61.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.56 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.22 0.533 . . . . 0.0 109.808 173.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -77.55 -45.6 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.11 151.11 15.89 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.323 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.52 ' CB ' ' HB3' ' B' ' 80' ' ' ARG . 4.8 pt-20 -76.04 133.34 40.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -146.72 159.19 43.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.63 0.252 . . . . 0.0 110.677 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -82.14 169.58 16.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.923 0.392 . . . . 0.0 111.701 -176.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.13 -44.91 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.541 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.88 -47.75 83.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.641 0.258 . . . . 0.0 110.798 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.89 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.98 -49.59 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.69 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.142 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.22 -43.64 98.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.83 69.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.868 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -93.66 -7.95 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 35.61 25.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.838 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.0 ptp -131.83 170.7 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -91.04 170.72 9.8 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.576 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.34 -42.01 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.156 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -65.37 -41.66 93.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.013 0.435 . . . . 0.0 110.678 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.383 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.322 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m -58.16 -36.9 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.1 77.79 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.812 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.05 -43.48 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' B' ' 79' ' ' TYR . 90.2 mt -60.08 -39.85 87.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.183 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.59 -40.44 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.428 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.87 97.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.819 0.342 . . . . 0.0 110.739 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 98.9 mt -66.13 -39.12 89.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 68' ' ' VAL . 75.6 tttt -67.72 -38.08 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.302 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.9 m -66.24 -27.43 67.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.553 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.0 -26.62 64.05 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.499 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.95 20.71 10.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' B' ' 86' ' ' VAL . 3.5 mm? -89.78 -49.27 6.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.736 0.303 . . . . 0.0 111.471 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 29.6 m -115.79 162.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 112.031 -174.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -124.6 152.62 43.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.915 176.676 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.69 114.37 28.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.207 0.527 . . . . 0.0 111.297 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.634 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 19.4 mmm180 -103.95 94.91 5.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.543 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' B' ' 77' ' ' GLN . 56.2 ttt180 -78.69 122.72 26.34 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -135.32 128.37 31.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.4 -115.32 6.97 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.47 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -116.28 -6.17 11.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ARG . . . . . 0.623 ' HG3' HH11 ' B' ' 76' ' ' ARG . 8.9 ptt85 -117.53 149.05 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 91.8 mt-30 -98.72 131.8 44.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.218 0.532 . . . . 0.0 111.056 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.634 ' HB2' ' HB2' ' B' ' 71' ' ' ARG . 80.4 m-85 -89.08 129.99 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.026 170.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.544 ' CD1' HD13 ' B' ' 59' ' ' LEU . 27.0 m-85 -108.45 136.57 47.85 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.317 0.58 . . . . 0.0 110.534 177.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.52 ' HB3' ' CB ' ' B' ' 38' ' ' GLU . 15.8 ptm180 -148.07 168.67 21.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 56.9 mt -68.02 134.08 30.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -55.02 -42.67 72.88 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.995 -173.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.21 169.78 30.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.019 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -71.47 -29.33 64.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.161 0.505 . . . . 0.0 109.724 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.394 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' B' ' 67' ' ' LEU . 45.9 t -65.57 -38.96 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.61 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.05 87.79 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.17 0.509 . . . . 0.0 110.456 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.3 -34.65 78.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.931 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.46 HD11 ' HB ' ' A' ' 93' ' ' VAL . 7.3 tt -61.4 -49.27 77.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.088 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' B' ' 28' ' ' LEU . 86.2 t80 -64.75 -43.39 93.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.646 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.482 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -61.23 -46.95 88.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 63.1 tp -54.3 -53.11 58.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.655 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 15' ' ' VAL . 13.8 p -64.45 -35.07 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.182 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -72.11 -40.53 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 91' ' ' ALA . 53.3 t -61.6 -50.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.08 -31.09 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.677 0.275 . . . . 0.0 111.048 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.28 -56.02 11.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.385 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 9.6 t70 -57.92 -34.7 70.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.267 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.74 -51.03 71.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -89.78 -3.61 58.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.721 0.296 . . . . 0.0 111.364 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.34 -14.36 53.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.457 0.646 . . . . 0.0 109.634 171.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -101.53 -51.7 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.0 90.8 3.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.161 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -168.6 130.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 68.36 149.12 0.06 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.156 0.503 . . . . 0.0 110.059 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -83.19 -158.65 0.3 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -95.67 95.63 8.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 169.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 74.7 t60 . . . . . 0 C--O 1.243 0.747 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.822 -170.19 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.89 155.96 19.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.043 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -126.31 -159.76 10.36 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.413 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -83.02 113.16 20.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.982 0.42 . . . . 0.0 110.282 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -108.77 7.35 26.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.06 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.52 -24.54 56.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.198 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -70.06 -40.61 74.97 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -61.71 -48.78 79.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.727 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.33 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.113 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.27 86.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' VAL . 88.0 mt -66.71 -38.71 87.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.167 0.508 . . . . 0.0 109.918 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.21 -28.37 70.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.682 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.09 -33.39 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.234 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -67.23 -40.6 86.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.724 HG12 HD21 ' B' ' 22' ' ' LEU . 87.6 t -61.96 -42.28 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.276 174.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.774 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -57.37 -54.85 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.79 -29.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' HA3' HD22 ' B' ' 22' ' ' LEU . . . -68.03 -41.57 87.03 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.268 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 64.7 mtpt -69.15 -32.39 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.636 0.255 . . . . 0.0 111.145 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.21 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.377 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' HD21 ' A' ' 28' ' ' LEU . 8.6 tt -87.49 -14.16 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.281 0.563 . . . . 0.0 110.476 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.41 -6.36 53.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.23 92.65 8.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 178.343 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -60.75 -30.54 72.88 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.542 -0.754 . . . . 0.0 113.209 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -73.26 -22.38 60.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.92 0.391 . . . . 0.0 110.506 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -94.3 -15.8 24.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 90.7 mt -69.83 -24.5 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.84 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.522 ' OE1' HG22 ' A' ' 48' ' ' THR . 22.6 tm0? -61.57 -33.28 73.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.799 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.42 -39.29 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.207 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.52 HD11 HD23 ' A' ' 67' ' ' LEU . 77.8 mt -60.98 -44.93 96.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.558 176.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.23 -39.35 82.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.403 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.9 tp -68.11 -37.66 81.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HD11 ' A' ' 44' ' ' ILE . 84.9 mt -77.41 -24.91 50.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.74 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 110.152 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.59 0.91 54.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.782 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.56 148.84 4.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.41 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.27 140.88 50.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 5.5 ttm180 -146.99 150.02 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.535 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -81.74 157.04 24.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 77' ' ' GLN . 98.4 t -53.02 -45.53 52.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 O-C-N 123.427 0.454 . . . . 0.0 111.988 -177.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.64 -43.49 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.171 0.51 . . . . 0.0 110.578 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . . . -69.86 -36.01 75.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.535 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 40' ' ' ALA . 85.3 mt -64.74 -50.25 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.124 175.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.22 76.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.508 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.9 m -63.9 -49.84 71.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.18 72.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.72 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.522 HG22 ' OE1' ' A' ' 29' ' ' GLN . 40.5 p -83.31 -14.31 53.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.963 0.411 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.84 31.96 51.62 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.149 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 57.4 mtt -116.47 -178.82 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.412 . . . . 0.0 110.239 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -94.5 161.6 14.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.94 -50.52 72.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.632 0.253 . . . . 0.0 111.188 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -59.47 -42.41 91.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.702 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -59.13 -53.61 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.82 85.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.823 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.23 -35.87 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.7 -42.98 81.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -69.36 -39.16 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.429 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' A' ' 79' ' ' TYR . 68.4 mt -65.17 -41.0 95.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.82 -39.56 81.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.97 91.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.759 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.28 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.13 0.49 . . . . 0.0 110.237 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.55 -46.71 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.317 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 p -66.01 -29.64 70.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.223 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.83 -35.09 84.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.469 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.35 16.27 10.51 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.415 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' HA ' HG11 ' A' ' 86' ' ' VAL . 8.1 mp -88.81 -47.27 8.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 111.757 -177.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.91 157.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.462 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.86 157.41 28.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.987 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.31 114.98 26.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.824 0.345 . . . . 0.0 111.253 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.86 104.88 15.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -88.27 116.85 26.77 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -111.77 94.05 4.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.556 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.72 3.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.558 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.5 p -104.21 -4.93 22.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 111.222 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -103.0 137.74 40.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.959 0.409 . . . . 0.0 110.523 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 41' ' ' VAL . 43.9 tt0 -107.43 113.13 26.29 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.644 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 50.3 m-85 -97.32 147.81 23.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.32 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CD1' HD13 ' A' ' 59' ' ' LEU . 19.1 m-85 -122.91 143.2 50.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.289 0.566 . . . . 0.0 111.262 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 80' ' ' ARG . 26.0 ttt85 -150.26 156.82 42.27 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.823 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 87' ' ' ALA . 55.2 mt -60.82 129.36 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.81 74.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.494 -171.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.3 154.14 25.59 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.168 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.4 -34.17 77.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.3 -40.8 98.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.58 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 67' ' ' LEU . 57.5 t -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.175 0.512 . . . . 0.0 110.326 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 81' ' ' ILE . . . -62.48 -46.0 90.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.92 -24.07 62.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.1 tt -64.66 -55.01 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.83 -38.21 84.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.435 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.49 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.5 tt -60.84 -44.15 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 89' ' ' LEU . 73.1 t -58.61 -40.61 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.606 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.413 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 34.3 tt0 -62.16 -45.35 93.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.77 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 92' ' ' LEU . 92.7 t -58.45 -39.49 75.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.57 74.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.1 -40.41 85.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.598 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -60.13 -36.55 77.74 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.609 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -79.18 -21.7 46.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.41 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.9 -31.39 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.405 . . . . 0.0 110.357 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.84 84.66 5.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.155 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -74.0 -35.39 64.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.95 121.92 38.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.611 173.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -92.63 -158.4 0.59 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.632 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -63.53 -39.91 95.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 51.54 -174.36 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 O-C-N 124.475 1.109 . . . . 0.0 113.476 171.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 . . . . . 0 C--O 1.245 0.832 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.788 177.268 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.37 146.37 50.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 0.0 111.072 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.27 -39.94 0.28 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -91.53 -79.44 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.9 m 48.58 51.91 14.69 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.451 0.643 . . . . 0.0 111.072 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.61 -33.21 75.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.853 -173.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' B' ' 7' ' ' ARG . 9.3 ttp180 -71.91 -37.15 70.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.549 -174.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -68.69 -35.06 76.69 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.487 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.54 77.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.889 0.376 . . . . 0.0 110.438 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.26 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.747 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.65 -43.12 94.66 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.013 0.435 . . . . 0.0 110.624 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.18 -32.85 72.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.041 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.6 -36.37 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -64.27 -46.22 84.66 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.163 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.422 HG23 HD13 ' A' ' 28' ' ' LEU . 34.3 m -67.68 -31.03 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.34 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -64.82 -38.37 90.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.13 -47.81 83.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.984 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.47 89.95 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.405 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -68.72 -31.04 69.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HA3' ' B' ' 65' ' ' GLY . . . -69.33 -31.95 70.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.217 0.532 . . . . 0.0 110.146 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.724 HD21 HG12 ' A' ' 15' ' ' VAL . 10.1 tt -76.07 -35.84 59.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.618 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 20' ' ' LYS . . . -77.52 76.45 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.863 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.411 ' HB3' ' HD2' ' B' ' 27' ' ' ARG . 36.4 m-80 -133.19 -45.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.05 -107.29 1.37 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.46 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -65.03 -21.04 66.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.764 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD2' ' HB3' ' B' ' 24' ' ' ASN . 100.0 mtt180 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.71 -24.6 62.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 0.0 110.519 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -68.15 -24.53 65.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.154 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -72.89 -37.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.143 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.437 HD11 HD23 ' B' ' 67' ' ' LEU . 84.2 mt -61.53 -41.6 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.462 . . . . 0.0 109.772 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.4 -41.94 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.584 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 16.0 tp -67.61 -35.89 79.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.557 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -80.53 -19.95 44.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.964 0.411 . . . . 0.0 111.124 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.85 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.334 0.588 . . . . 0.0 109.959 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.682 ' HB2' HH21 ' B' ' 39' ' ' ARG . 51.2 mt-30 -77.8 -21.13 52.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.09 168.29 22.75 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.792 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -77.43 125.2 28.95 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.682 HH21 ' HB2' ' B' ' 36' ' ' GLN . 48.4 mtt-85 -132.24 149.0 52.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -173.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -80.99 160.29 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.09 -44.17 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.722 0.296 . . . . 0.0 111.231 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.478 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.9 mm-40 -59.3 -38.51 80.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.45 -48.24 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.406 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 40' ' ' ALA . 77.7 mt -57.95 -50.08 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.017 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.46 89.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.308 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 33.2 m -65.35 -43.91 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.38 72.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.813 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -96.15 -9.22 31.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.688 0.28 . . . . 0.0 111.614 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.8 35.3 62.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.169 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.9 mtm -121.96 169.45 10.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -88.42 155.85 19.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.752 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' B' ' 42' ' ' GLU . 92.9 mt -54.35 -47.88 72.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.605 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.2 p -59.2 -49.66 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.273 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.5 m -56.55 -46.52 80.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.864 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.412 ' HA ' ' ND2' ' B' ' 58' ' ' ASN . . . -64.4 -55.67 19.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -56.15 -40.97 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.405 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.2 68.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.477 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 5.5 p30 -74.92 -26.32 59.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.712 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' B' ' 79' ' ' TYR . 74.3 mt -64.62 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.295 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -66.78 -38.35 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.142 0.496 . . . . 0.0 109.995 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.75 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.643 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 94.6 mt -64.07 -32.83 74.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.33 -38.63 88.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 110.174 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -66.21 -25.81 67.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.721 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' B' ' 21' ' ' ALA . . . -79.25 -16.29 78.64 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.16 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.82 16.16 49.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.312 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.437 HD23 HD11 ' B' ' 31' ' ' LEU . 10.3 mp -90.74 -45.55 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -176.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.56 165.97 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.962 0.41 . . . . 0.0 111.565 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.47 167.91 20.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' B' ' 79' ' ' TYR . . . -117.23 144.01 45.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.188 0.518 . . . . 0.0 111.618 -175.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 31.0 mmm-85 -116.89 100.28 7.67 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.914 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -78.97 96.38 5.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -114.15 112.03 22.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.426 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.22 -103.46 0.66 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.182 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -124.64 19.84 8.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.082 0.468 . . . . 0.0 110.961 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 76' ' ' ARG . 62.0 mtt85 -124.81 151.67 44.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -111.44 107.94 17.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.969 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 91.9 m-85 -99.87 148.85 24.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.121 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.468 ' CD1' HD13 ' B' ' 59' ' ' LEU . 45.5 m-85 -129.71 148.09 51.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.596 173.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -160.38 160.77 32.71 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 68.5 mt -57.89 133.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.52 179.22 40.02 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.772 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.72 -35.43 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.965 0.412 . . . . 0.0 110.686 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.41 -47.13 82.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.119 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 21.7 t -69.39 -39.91 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.378 . . . . 0.0 110.425 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.94 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -74.43 -34.8 63.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.708 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.89 -48.85 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.13 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.76 -39.64 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.488 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.83 -46.86 80.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.387 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -46.13 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.77 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' B' ' 96' ' ' VAL . 7.6 p -69.05 -29.76 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.954 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -69.62 -44.69 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.254 174.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 91' ' ' ALA . 99.1 t -62.9 -43.72 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' B' ' 93' ' ' VAL . 11.2 p -62.76 -37.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.723 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.36 -48.57 33.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.135 0.493 . . . . 0.0 110.733 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.99 -48.22 77.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.62 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -83.44 -22.02 32.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -171.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -82.77 -25.42 32.81 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 122.221 -0.299 . . . . 0.0 111.403 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.69 -20.66 60.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.856 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.49 102.14 0.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.838 0.352 . . . . 0.0 110.219 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -67.23 -24.89 65.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 0.0 110.128 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -91.59 86.7 6.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -77.75 -55.91 4.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.638 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -139.49 143.08 37.32 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -100.56 -21.47 15.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.719 0.295 . . . . 0.0 110.369 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.457 -0.783 . . . . 0.0 109.582 -179.451 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.776 0.322 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.4 -56.45 3.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.54 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.67 -36.65 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.098 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.538 ' HG2' ' H ' ' A' ' 6' ' ' ASP . 64.3 tt0 70.93 151.93 0.11 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.232 0.613 . . . . 0.0 111.048 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 m -69.28 -36.26 76.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.032 0.444 . . . . 0.0 110.469 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.538 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 4.7 t0 -84.24 53.78 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.429 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -64.5 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.89 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -64.62 -22.56 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.54 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -26.7 67.71 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.928 0.394 . . . . 0.0 110.537 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.83 53.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.307 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' VAL . 89.8 mt -71.32 -41.96 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 109.652 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.22 -20.71 63.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.348 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.02 -44.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -64.89 -41.66 95.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.03 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 11' ' ' LEU . 72.8 t -60.38 -45.41 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.44 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -64.39 -20.96 66.47 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.593 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -79.72 -42.27 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.943 0.402 . . . . 0.0 110.264 176.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.04 -46.79 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.034 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.31 82.29 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 88.8 tttt -64.34 -37.51 87.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.713 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 -38.0 65.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.314 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 42.6 tp -90.73 25.06 2.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.11 27.77 0.24 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.675 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.849 HD22 HD11 ' A' ' 28' ' ' LEU . 7.0 m120 63.56 -156.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.581 167.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.63 -154.64 20.37 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.39 -176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.79 -11.3 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.27 0.557 . . . . 0.0 110.912 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HG2' ' HB3' ' A' ' 58' ' ' ASN . 66.6 mtm180 -70.04 -25.31 63.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.461 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.849 HD11 HD22 ' A' ' 24' ' ' ASN . 70.0 mt -71.08 -27.92 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.271 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.3 -32.25 71.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 109.743 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 67.0 mt -67.52 -47.71 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.889 175.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 28' ' ' LEU . 94.5 mt -60.31 -40.15 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.585 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.44 -31.43 69.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.781 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 56.8 tp -83.2 -35.09 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.203 178.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.2 mt -75.07 -29.07 60.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.824 0.345 . . . . 0.0 111.293 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.87 -25.13 65.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.945 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -98.09 15.11 25.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.06 153.53 6.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.608 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 9.8 pt-20 -71.8 132.79 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.811 0.339 . . . . 0.0 110.398 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 16.2 mmt180 -128.56 146.48 50.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.251 -175.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 159.25 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -51.3 -46.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.351 0.407 . . . . 0.0 111.669 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.41 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.434 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.23 -47.94 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.66 77.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.266 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 m -63.15 -49.35 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.13 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -85.92 -15.07 42.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.834 0.349 . . . . 0.0 111.474 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.12 14.29 80.75 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.262 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 68.4 mtm -119.69 122.87 42.44 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -68.13 167.56 13.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 111.486 -172.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.07 -41.92 36.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -168.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -56.21 -55.37 34.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.797 0.332 . . . . 0.0 111.492 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.6 m -65.84 -40.22 91.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.094 0.474 . . . . 0.0 110.539 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.35 65.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -59.43 -40.35 86.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.783 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.9 91.91 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.932 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 41.0 m-80 -75.66 -37.57 59.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.043 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.37 -46.2 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -61.17 -42.02 97.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.56 90.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 67' ' ' LEU . 93.3 mt -67.34 -35.18 78.87 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -75.12 -37.32 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -67.15 -29.27 68.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.65 73.04 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.64 18.87 42.98 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.71 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.54 ' HG ' HG13 ' A' ' 68' ' ' VAL . 1.3 pt? -104.83 -13.27 15.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.002 0.901 . . . . 0.0 111.308 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG13 ' HG ' ' A' ' 67' ' ' LEU . 21.1 m -129.46 161.47 38.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 174.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.14 155.97 49.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.328 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . . . -123.93 138.2 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.224 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -118.66 144.68 46.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.19 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -97.11 118.36 33.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.614 0.245 . . . . 0.0 110.926 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -126.35 105.35 8.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.002 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -103.08 1.21 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.749 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -115.7 -8.7 12.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.525 0.679 . . . . 0.0 109.882 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -97.63 152.2 19.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.642 0.734 . . . . 0.0 112.302 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -111.74 114.54 27.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.747 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -97.14 123.16 40.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 51.2 m-85 -101.91 143.19 32.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.785 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 38.6 ttp85 -155.55 163.19 40.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.452 ' CG2' ' HB ' ' A' ' 86' ' ' VAL . 47.3 mm -55.84 132.84 19.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.62 76.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.771 0.32 . . . . 0.0 111.773 -174.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.93 155.19 26.05 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.067 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.88 -34.16 65.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.118 0.485 . . . . 0.0 111.074 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.77 -27.23 68.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.301 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' ' 67' ' ' LEU . 46.9 t -76.38 -34.86 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.47 89.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.933 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 88' ' ' ARG . 19.8 mtm105 -69.97 -29.61 66.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.029 175.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' B' ' 92' ' ' LEU . 6.2 tt -65.45 -47.97 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 175.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.09 -37.39 87.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.156 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.93 -44.17 93.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 96' ' ' VAL . 60.7 tp -58.7 -50.66 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.48 HG22 HG13 ' B' ' 15' ' ' VAL . 8.0 p -67.01 -29.97 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.044 0.45 . . . . 0.0 110.542 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -70.69 -36.45 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.909 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.3 t -62.63 -41.66 93.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 92' ' ' LEU . 84.0 t -53.58 -41.87 47.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.35 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.33 -58.34 3.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.987 0.422 . . . . 0.0 111.143 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.51 -49.02 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.705 -171.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -84.11 -10.09 58.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 7.6 m-70 -88.41 -10.45 49.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.3 0.571 . . . . 0.0 109.822 173.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 105' ' ' HIS . 7.3 mp -76.85 -16.78 59.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 167.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 64.55 -87.42 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.795 169.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -127.2 -36.47 2.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.173 0.511 . . . . 0.0 109.833 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -137.36 -92.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 101' ' ' LEU . 11.9 t60 67.34 -22.8 0.11 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 166.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -82.62 80.23 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.674 0.75 . . . . 0.0 112.341 -171.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -86.39 85.87 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.42 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.946 -175.246 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.63 161.92 18.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.206 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' B' ' 7' ' ' ARG . . . -76.51 70.01 2.25 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.644 -0.582 . . . . 0.0 111.644 176.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -106.13 -27.01 11.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.102 0.477 . . . . 0.0 110.912 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.6 p -110.93 6.98 21.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.475 0.655 . . . . 0.0 109.91 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.42 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . 2.6 p-10 -151.19 44.48 0.8 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.775 -170.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' B' ' 3' ' ' GLY . 72.2 mtt-85 -70.7 -53.42 15.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.696 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -67.7 -24.95 65.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.985 0.421 . . . . 0.0 110.277 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' B' ' 6' ' ' ASP . . . -64.66 -28.72 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.721 178.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.519 . . . . 0.0 110.211 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 15' ' ' VAL . 4.1 mm? -70.12 -44.46 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.94 -46.45 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.095 0.474 . . . . 0.0 109.889 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -63.49 -44.89 93.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.615 HG12 ' ND2' ' A' ' 24' ' ' ASN . 81.5 t -59.24 -36.74 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.294 175.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.717 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -58.92 -41.65 87.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.625 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -68.12 -42.12 80.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.86 -51.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.267 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.36 72.61 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.41 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -51.26 -39.26 56.35 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.816 0.446 . . . . 0.0 111.932 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -34.56 65.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.433 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.8 tp -91.9 2.75 56.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 -176.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.04 83.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.238 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.455 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 24.4 p-10 -176.18 169.77 2.74 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.539 -174.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.8 169.64 12.4 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.433 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.472 ' HD2' ' SD ' ' B' ' 50' ' ' MET . 0.2 OUTLIER -78.74 -13.77 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 109.647 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.587 ' HB3' ' HB3' ' B' ' 58' ' ' ASN . 16.9 ptt180 -60.63 -18.88 56.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.16 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.77 -32.01 72.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -67.98 -28.79 67.74 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.459 0.647 . . . . 0.0 110.162 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 69.4 mt -69.32 -38.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.691 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.55 -38.62 88.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.288 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.64 -44.67 77.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' B' ' 44' ' ' ILE . 60.0 tp -72.25 -41.47 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.177 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 78.8 mt -67.84 -26.7 66.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 111.268 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.64 -10.46 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.192 0.52 . . . . 0.0 110.478 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -102.62 12.1 36.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.161 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.26 150.76 7.17 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.172 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.76 139.17 48.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.712 ' HG2' ' HB3' ' B' ' 43' ' ' ALA . 14.7 ttm-85 -151.33 152.25 32.9 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.974 -171.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -80.47 159.89 25.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.975 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.46 -44.68 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.223 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' B' ' 52' ' ' LEU . 2.0 mp0 -55.76 -51.53 67.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.156 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.712 ' HB3' ' HG2' ' B' ' 39' ' ' ARG . . . -67.13 -36.85 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.492 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . 84.9 mt -61.2 -47.4 93.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.392 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.34 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.853 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.4 m -62.62 -46.64 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.26 96.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.817 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 8.9 p -86.28 -9.12 57.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 0.0 111.468 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.25 25.82 72.11 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.161 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' B' ' 26' ' ' ARG . 68.7 mtm -107.62 171.29 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -78.43 151.0 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.096 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' B' ' 42' ' ' GLU . 3.9 mm? -48.76 -46.16 40.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.586 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -67.49 -38.34 84.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.304 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -60.67 -48.52 81.41 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.201 0.525 . . . . 0.0 110.235 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.38 76.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.687 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 45.2 t -57.04 -46.53 82.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.238 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.93 81.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.845 0.355 . . . . 0.0 111.232 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.587 ' HB3' ' HB3' ' B' ' 27' ' ' ARG . 38.9 m-80 -71.92 -35.49 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.002 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' B' ' 79' ' ' TYR . 80.5 mt -62.8 -45.91 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.81 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 56' ' ' SER . 94.4 mt-30 -62.03 -38.16 87.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.32 88.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.758 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.1 -39.26 94.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.92 -33.0 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.401 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -69.16 -28.51 66.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.35 -8.57 71.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.386 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 22.63 43.81 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.708 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.61 -42.92 13.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.51 155.34 40.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 0.0 111.868 -176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.98 161.9 14.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.57 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.49 119.13 25.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -103.24 106.68 17.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 72' ' ' ARG . 30.0 ttt180 -97.34 104.34 16.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.384 0.611 . . . . 0.0 111.167 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -100.71 109.91 21.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.483 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.68 -129.69 30.6 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.471 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 5.8 p -94.01 13.43 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.884 0.373 . . . . 0.0 111.469 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -108.65 139.1 43.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.44 . . . . 0.0 111.159 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 76.6 mt-30 -112.05 103.99 12.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.128 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 90.0 m-85 -92.45 121.22 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.978 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.413 ' CD1' HD13 ' B' ' 59' ' ' LEU . 60.0 m-85 -100.9 147.44 26.12 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 121.215 0.531 . . . . 0.0 110.889 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 80' ' ' ARG . 29.5 ttm180 -150.58 157.47 43.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.43 131.11 25.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.78 62.49 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.402 0.439 . . . . 0.0 111.907 -174.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.03 166.84 28.4 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.481 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 1.1 pm0 -68.84 -26.38 65.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.687 0.244 . . . . 0.0 110.389 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.945 0.403 . . . . 0.0 110.079 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.14 -40.59 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.073 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.36 93.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.162 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 64.9 mtm-85 -71.86 -23.81 61.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.63 -48.17 64.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.96 -34.88 79.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.462 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -70.09 -36.68 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' A' ' 89' ' ' LEU . 47.4 tp -63.94 -48.03 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.744 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.51 -27.7 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.206 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.413 ' HB3' ' O ' ' B' ' 91' ' ' ALA . 54.2 tt0 -63.31 -43.7 97.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.2 t -63.75 -46.66 93.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -38.42 51.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.655 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.72 -64.11 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' B' ' 102' ' ' GLU . 24.0 t70 -52.61 -45.0 66.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.384 -173.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.93 -29.57 65.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -96.7 -2.73 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.802 ' HA ' ' HB3' ' B' ' 105' ' ' HIS . 2.5 pt? -128.76 9.51 5.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.289 0.566 . . . . 0.0 109.959 170.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 98' ' ' ASP . 1.2 tm-20 -68.0 -47.59 68.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.906 -174.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -82.98 66.02 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.615 0.245 . . . . 0.0 111.251 -176.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 11.1 t60 57.77 29.62 17.7 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.657 173.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' HIS . . . . . 0.802 ' HB3' ' HA ' ' B' ' 101' ' ' LEU . 1.7 t-80 -94.64 23.05 5.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.479 0.657 . . . . 0.0 110.013 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -59.27 118.53 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.878 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -92.79 -53.97 3.95 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 . . . . . 0 C--O 1.241 0.618 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.188 177.374 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.81 160.24 15.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.68 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.08 55.18 3.12 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 113.272 -177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -171.24 -73.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m 57.11 32.11 21.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.394 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 t70 71.23 129.03 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.83 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -76.98 -17.76 58.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.263 -173.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -81.66 -27.33 34.12 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.3 77.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.54 66.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.7 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.7 mt -69.68 -42.19 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.96 -34.05 76.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.18 -42.08 94.0 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.18 -37.25 80.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' LEU . 97.1 t -63.47 -45.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.11 0.481 . . . . 0.0 109.726 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.42 -29.14 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.639 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.647 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 5.6 tpp180 -59.59 -53.56 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.213 0.53 . . . . 0.0 110.044 177.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.3 t -65.5 -40.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.794 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.67 -42.82 98.05 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.092 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.7 ptpt -73.43 -23.49 60.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.03 0.415 . . . . 0.0 110.989 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.31 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.451 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 28' ' ' LEU . 91.5 mt -78.64 -25.41 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.2 3.88 5.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 13.0 m120 -82.61 -36.38 26.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.582 0.23 . . . . 0.0 111.366 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.515 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 76.65 -62.01 3.2 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.059 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -55.1 -45.87 75.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.315 0.579 . . . . 0.0 111.345 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 69.9 mtt180 -78.89 -9.21 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.582 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 22' ' ' LEU . 97.5 mt -69.66 -22.91 63.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.489 ' OE1' ' HD3' ' B' ' 8' ' ' LYS . 10.6 mm100 -59.15 -34.83 72.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.637 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.484 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 61.0 mt -70.62 -41.22 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.098 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 28' ' ' LEU . 83.8 mt -63.54 -43.82 95.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.955 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.46 -26.98 68.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.659 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 2.3 tm? -82.73 -38.25 23.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.063 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 65.6 mt -77.0 -10.41 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.431 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.92 -16.29 64.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -78.61 -31.94 47.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.18 -136.58 5.09 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.756 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.645 ' HB3' ' HD2' ' A' ' 80' ' ' ARG . 9.3 pt-20 -105.12 123.69 48.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.985 0.421 . . . . 0.0 110.422 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.538 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 26.5 mmt180 -124.26 143.26 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.643 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -72.2 153.29 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.7 -43.39 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 52' ' ' LEU . 1.5 mp0 -64.42 -37.82 88.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.465 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.36 77.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.5 mt -59.45 -47.29 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.442 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -62.73 -46.46 87.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.63 84.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.6 p -84.29 -16.56 42.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.21 24.61 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.337 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mtm -126.8 171.32 11.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -92.08 167.64 11.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.82 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.5 mm? -63.37 -41.75 98.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.245 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.5 p -61.49 -46.83 88.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 111.764 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -72.61 -40.48 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.569 0.223 . . . . 0.0 110.585 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.82 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.474 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 p -65.79 -35.53 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.325 . . . . 0.0 110.79 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.05 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.439 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.71 -39.9 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.409 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.0 mt -60.99 -40.27 92.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.288 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.59 -39.92 92.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.53 95.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.52 -34.92 77.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.28 0.562 . . . . 0.0 110.939 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -78.72 -26.97 44.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.413 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -67.22 -37.56 83.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.647 ' HA2' ' HG3' ' A' ' 17' ' ' ARG . . . -67.3 -24.17 73.47 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.8 43.84 13.67 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.76 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.669 ' HB2' HG11 ' A' ' 86' ' ' VAL . 1.4 pt? -125.06 3.97 7.95 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.063 -0.655 . . . . 0.0 112.162 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.75 148.43 25.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 110.79 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -121.11 160.97 22.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -123.0 129.41 51.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.548 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.84 105.91 14.51 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' HG2' ' A' ' 77' ' ' GLN . 21.4 ptt85 -89.92 137.14 32.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 0.0 110.859 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -139.05 112.94 8.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.146 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 -107.53 2.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.47 -175.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -119.16 7.78 11.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.447 . . . . 0.0 110.089 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.14 148.18 26.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.849 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 78.2 mt-30 -121.8 116.0 23.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 175.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -95.6 116.67 29.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 35.3 m-85 -99.55 145.43 27.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.006 0.432 . . . . 0.0 110.308 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.645 ' HD2' ' HB3' ' A' ' 38' ' ' GLU . 12.3 ptm180 -154.41 164.59 38.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.06 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.8 mm -61.14 135.02 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.035 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.12 83.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.67 167.37 33.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.274 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.78 -30.59 70.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 110.999 -177.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.669 HG11 ' HB2' ' A' ' 67' ' ' LEU . 43.4 t -77.11 -39.04 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.762 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.93 94.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.305 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -67.75 -26.49 66.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.115 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.24 -51.59 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.39 -34.03 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.61 -44.74 85.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.206 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.1 tt -58.97 -51.51 69.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.446 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.627 HG12 HD11 ' B' ' 89' ' ' LEU . 19.1 m -65.01 -28.99 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -72.66 -38.04 67.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 91' ' ' ALA . 82.0 t -64.23 -37.0 78.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 174.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' LEU . 88.9 t -61.37 -45.06 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.577 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HB2' HG13 ' B' ' 15' ' ' VAL . . . -71.21 -15.38 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 111.098 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.96 -70.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.378 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -92.79 -34.35 13.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.691 -173.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 96' ' ' VAL . 41.1 t-80 -76.29 -21.09 56.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.972 0.415 . . . . 0.0 110.649 -175.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.94 -17.41 59.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.712 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HG2' ' H ' ' A' ' 104' ' ' HIS . 34.8 tt0 73.07 139.46 0.06 Allowed 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.86 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -105.22 24.26 12.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.153 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.482 ' H ' ' HG2' ' A' ' 102' ' ' GLU . 60.2 t-80 -75.32 -40.51 58.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.578 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -59.08 98.44 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.727 0.775 . . . . 0.0 110.927 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -155.94 113.92 3.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.145 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -126.97 4.23 6.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.935 0.398 . . . . 0.0 110.799 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.94 178.861 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.03 -39.53 19.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.376 0.608 . . . . 0.0 109.663 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.44 -154.5 8.36 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.039 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -85.89 85.74 7.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.156 0.503 . . . . 0.0 109.949 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -72.0 -32.93 67.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.516 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -143.99 146.42 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -88.84 -45.22 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.878 0.37 . . . . 0.0 111.191 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.489 ' HD3' ' OE1' ' A' ' 29' ' ' GLN . 82.5 mttt -68.98 -36.93 78.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.43 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.29 -28.44 28.06 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.36 0.412 . . . . 0.0 111.924 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.16 -38.61 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.966 0.413 . . . . 0.0 110.87 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.92 -42.72 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.999 -175.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' B' ' 15' ' ' VAL . 85.8 mt -69.34 -31.21 69.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -178.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.27 -37.91 81.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 6.3 tp-100 -65.8 -47.17 75.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.809 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 97' ' ' ALA . 25.9 m -70.73 -31.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.072 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.32 -24.56 65.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.096 0.474 . . . . 0.0 110.264 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.576 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 42.4 ttm180 -70.88 -42.36 70.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.966 174.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 52.5 t -58.79 -52.69 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.355 176.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.84 -36.69 92.42 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.352 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -67.32 -28.97 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.525 0.203 . . . . 0.0 111.08 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.34 -20.69 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 88.0 mt -85.7 -31.96 22.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.39 84.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.208 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -169.95 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.834 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.456 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . 100.34 -53.04 0.94 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.474 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -57.72 -41.19 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -83.11 -13.38 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.04 0.448 . . . . 0.0 110.488 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.456 HD12 ' HA2' ' B' ' 25' ' ' GLY . 90.7 mt -72.41 -26.34 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.5 -31.98 71.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.111 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.427 HG21 HD21 ' B' ' 59' ' ' LEU . 65.6 mt -69.16 -43.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.328 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -42.24 96.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.8 -33.98 76.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.429 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 31.9 tp -75.43 -48.09 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.828 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.41 HD21 HD11 ' B' ' 44' ' ' ILE . 84.3 mt -71.03 -8.63 54.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.898 0.38 . . . . 0.0 111.62 -177.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -17.28 64.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 3.7 pt20 -86.04 -28.16 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.436 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.43 -173.71 35.53 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.236 -0.507 . . . . 0.0 111.877 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 1.088 ' HG2' ' HB3' ' B' ' 80' ' ' ARG . 40.1 mt-10 -79.84 131.07 35.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.622 0.248 . . . . 0.0 110.708 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -135.16 158.3 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.553 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.455 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.72 150.36 25.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.276 -176.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 47.4 t -51.54 -44.99 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.482 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -44.21 85.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.395 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -40.73 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.985 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 40' ' ' ALA . 79.0 mt -59.63 -47.31 91.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.543 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -49.4 77.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.716 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 55.9 m -59.36 -48.46 81.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.597 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.24 82.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.3 p -88.45 -14.3 38.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 111.507 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.66 51.39 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.297 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -105.56 170.79 7.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.34 163.66 13.79 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.422 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.07 -38.94 84.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.641 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -62.37 -42.04 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -63.66 -49.58 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.41 79.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.441 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 p -61.68 -31.27 71.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.81 -56.04 6.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.579 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.47 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 26.7 p30 -73.3 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.828 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.427 HD21 HG21 ' B' ' 30' ' ' ILE . 57.3 mt -64.09 -41.65 97.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -59.45 -43.5 93.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.464 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.97 82.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.211 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 79.4 mt -65.06 -33.67 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.258 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -71.51 -32.59 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.921 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 44.7 t -64.93 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.576 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -76.74 -14.23 82.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.431 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.24 43.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.379 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 67' ' ' LEU . 4.1 mm? -88.49 -40.05 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.32 154.73 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.122 0.487 . . . . 0.0 111.833 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -116.63 164.35 14.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.789 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.04 137.24 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -171.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -98.14 153.81 18.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.414 ' HG3' ' HG2' ' B' ' 77' ' ' GLN . 43.2 ttp180 -138.96 103.83 4.89 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.999 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -124.15 111.19 15.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.662 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.16 -114.25 4.11 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -112.54 -6.89 13.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.418 0.628 . . . . 0.0 109.483 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ARG . . . . . 0.442 ' HD2' ' CE1' ' B' ' 78' ' ' TYR . 13.4 ttm180 -94.46 140.17 30.17 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.097 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.414 ' HG2' ' HG3' ' B' ' 72' ' ' ARG . 75.5 mt-30 -117.84 135.23 54.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.162 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' B' ' 76' ' ' ARG . 58.5 m-85 -107.52 144.48 34.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.53 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -123.22 145.81 48.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.206 0.527 . . . . 0.0 111.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 1.088 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -144.45 174.72 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.835 174.588 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -67.82 133.79 31.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.62 60.33 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.54 31.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.182 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 43.3 tt0 -68.62 -30.19 68.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.058 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.68 -32.96 59.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.4 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.85 94.93 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.615 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 27.0 mmt180 -72.64 -27.21 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.134 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.627 HD11 HG12 ' A' ' 93' ' ' VAL . 5.7 tt -61.48 -53.47 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.023 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.52 -36.03 81.28 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.116 0.484 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.424 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.28 -47.78 72.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.8 -45.31 94.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.68 -29.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -70.22 -39.19 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 91' ' ' ALA . 76.3 t -60.58 -46.98 94.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.186 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 97.3 t -57.14 -45.53 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.363 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.08 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.374 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.04 -48.79 79.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.782 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.713 ' HG3' ' HD2' ' B' ' 100' ' ' HIS . 5.0 pt-20 -85.23 -18.01 35.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.713 ' HD2' ' HG3' ' B' ' 99' ' ' GLU . 10.5 m170 -92.36 -3.75 54.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 54.0 tp -100.73 93.83 5.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.95 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -71.09 119.07 14.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -137.73 20.62 2.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.892 -172.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.431 ' O ' ' HD2' ' B' ' 106' ' ' HIS . 9.2 p-80 -77.44 -4.64 46.43 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.106 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -76.37 80.57 3.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.516 0.675 . . . . 0.0 110.095 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' HIS . . . . . 0.431 ' HD2' ' O ' ' B' ' 104' ' ' HIS . 7.1 p80 -95.04 -22.33 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.805 -176.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 31.0 m170 69.25 -63.05 0.39 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.212 0.605 . . . . 0.0 111.043 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 . . . . . 0 C--O 1.245 0.864 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 172.549 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 6' ' ' ASP . . . -144.01 129.09 18.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.07 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.65 112.76 0.54 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 72.17 -51.8 0.7 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.345 0.658 . . . . 0.0 110.335 -175.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -104.51 95.51 5.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 170.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.577 ' HA ' ' HB1' ' A' ' 2' ' ' ALA . 5.2 m-20 -83.0 84.67 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.281 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 62.2 mtp180 -68.22 -36.33 79.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.346 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -62.78 -41.74 99.38 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.154 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.85 76.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.913 0.387 . . . . 0.0 110.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -66.33 -34.27 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.276 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 96.2 mt -72.76 -37.55 67.63 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 95.3 mt -60.8 -40.97 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.258 175.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.37 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -68.9 -39.91 79.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.266 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.798 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -59.4 -40.15 85.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.94 -43.57 91.24 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.699 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.98 -42.26 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.151 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.37 -41.07 99.77 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.573 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 98.7 mttt -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.5 0.191 . . . . 0.0 110.887 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.2 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.0 tp -77.97 -14.89 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.548 0.69 . . . . 0.0 109.892 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.46 21.37 11.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.252 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.618 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -80.06 -1.16 38.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.974 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.07 -95.74 0.12 Allowed Glycine 0 C--O 1.229 -0.203 0 CA-C-N 116.005 -0.543 . . . . 0.0 113.879 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 26' ' ' ARG . 19.2 mtp180 -65.25 -28.81 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 111.367 -175.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.618 ' HB2' ' HB3' ' A' ' 24' ' ' ASN . 89.2 mtt180 -71.29 -14.62 62.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.034 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' B' ' 12' ' ' LEU . 83.4 mt -70.07 -20.28 63.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.806 0.336 . . . . 0.0 110.098 177.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 -62.77 -35.46 79.89 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.628 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.4 mt -67.56 -40.81 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.736 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -38.96 88.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 110.113 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 tp -74.3 -38.21 63.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.726 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 77.6 mt -72.64 -18.41 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.207 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.34 61.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.115 0.483 . . . . 0.0 110.066 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -80.13 -40.02 28.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.491 175.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.67 178.59 39.85 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.612 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -83.89 146.69 27.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.642 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -146.03 164.55 31.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.002 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.46 151.56 32.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.225 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.45 -41.84 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.558 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 52' ' ' LEU . 34.9 tt0 -59.44 -45.75 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.098 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.27 83.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.735 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.45 -47.26 92.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.46 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.8 72.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.7 m -59.39 -47.1 86.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.268 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.99 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.948 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.86 -11.02 34.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 111.664 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.41 19.1 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.653 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.3 mtm -126.9 162.19 26.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -77.83 158.04 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 42' ' ' GLU . 10.9 mp -58.83 -44.69 90.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.912 0.386 . . . . 0.0 111.099 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -61.95 -44.76 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 110.901 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -60.88 -47.33 86.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.037 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.88 94.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.685 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.6 m -59.87 -37.5 79.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -44.1 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 0.0 110.628 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -64.37 -40.08 95.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 30' ' ' ILE . 88.9 mt -67.25 -36.64 82.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.141 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.07 -40.19 88.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.708 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.84 76.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.572 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 27' ' ' ARG . 95.7 mt -63.52 -36.82 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -69.22 -36.33 77.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.405 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.2 m -74.88 -19.18 60.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.697 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 -16.91 73.15 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.99 13.33 56.58 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.95 -41.37 14.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.657 0.265 . . . . 0.0 111.485 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.6 m -122.28 162.22 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.076 0.465 . . . . 0.0 111.738 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.876 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -133.28 155.58 49.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.01 177.404 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.34 126.26 44.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' HG3' ' A' ' 38' ' ' GLU . 15.5 mtm180 -98.11 126.12 43.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -82.75 95.17 7.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.85 108.67 19.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.712 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.58 -125.14 28.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.373 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -105.64 11.17 32.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.624 0.726 . . . . 0.0 109.724 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -111.91 148.2 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.106 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -102.3 116.04 31.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.472 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -102.68 116.76 33.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.74 149.51 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.548 ' HG2' ' H ' ' A' ' 81' ' ' ILE . 35.5 ttp180 -158.63 172.0 19.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.548 ' H ' ' HG2' ' A' ' 80' ' ' ARG . 54.5 mt -57.53 137.19 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.876 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -47.04 -49.81 20.65 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.602 0.564 . . . . 0.0 112.162 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.57 169.56 32.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 40.3 tt0 -64.61 -31.23 72.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.121 0.46 . . . . 0.0 110.009 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.89 -45.86 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.216 0.532 . . . . 0.0 109.693 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.93 -34.1 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.146 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.77 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.055 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 9.9 mmm-85 -69.58 -33.76 73.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.94 -47.03 79.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.082 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.86 -33.88 77.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 110.443 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.32 -41.18 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.889 0.376 . . . . 0.0 110.183 175.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.22 -51.6 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.474 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.508 HG12 HD11 ' B' ' 89' ' ' LEU . 33.1 m -64.56 -30.53 50.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.339 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -72.69 -43.19 63.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.093 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 73.2 t -63.83 -46.79 93.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.504 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.4 -36.27 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 120.65 0.262 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.85 70.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 110.409 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.8 -50.25 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.272 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.28 -33.84 74.21 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -98.29 -3.72 36.64 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.856 -0.738 . . . . 0.0 111.293 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.3 tp -85.95 -35.68 20.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -79.69 170.65 16.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.784 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -137.55 17.26 2.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.202 0.525 . . . . 0.0 109.917 -177.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -92.11 -47.28 7.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.504 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -75.27 96.2 3.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.949 0.404 . . . . 0.0 110.281 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -120.51 -3.59 9.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.409 0.623 . . . . 0.0 109.724 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -94.41 166.58 12.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.802 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.041 -179.139 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.54 -164.16 1.41 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.23 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.75 -92.17 1.78 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.013 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -100.76 129.95 46.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p 68.9 -37.64 0.37 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.043 1.337 . . . . 0.0 113.174 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 61.57 89.33 0.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.577 0.703 . . . . 0.0 109.664 -173.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -66.02 -19.22 65.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.701 -168.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -36.64 84.61 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.471 175.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -28.43 64.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.009 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.388 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 15' ' ' VAL . 92.1 mt -67.67 -43.56 79.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 28' ' ' LEU . 70.5 mt -65.02 -33.97 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.349 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.64 -40.0 94.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 11' ' ' LEU . 93.6 t -63.64 -38.91 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.995 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.54 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.831 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.517 HH21 ' HA3' ' B' ' 66' ' ' GLY . 16.3 ttp180 -58.26 -47.94 81.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.312 0.577 . . . . 0.0 109.459 178.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.637 HG13 HD21 ' B' ' 67' ' ' LEU . 62.7 t -63.41 -47.49 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.473 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.99 -40.22 93.02 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.744 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -70.17 -26.17 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.595 0.235 . . . . 0.0 111.068 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.58 -30.99 66.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.345 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.536 HD22 HD11 ' B' ' 67' ' ' LEU . 3.9 mm? -82.43 -17.51 45.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.209 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.65 48.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 111.66 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -135.86 -175.34 3.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.908 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.41 -55.17 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.005 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.37 -26.6 66.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.164 0.507 . . . . 0.0 110.648 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.42 ' HB3' HD21 ' B' ' 62' ' ' LEU . 99.3 mtt180 -83.4 -18.47 38.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.295 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.34 -29.19 42.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.3 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.87 -28.21 67.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.429 0.633 . . . . 0.0 109.654 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.504 HG12 HG21 ' B' ' 48' ' ' THR . 66.0 mt -66.79 -40.08 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.544 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.98 -41.46 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -26.46 64.09 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.839 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.53 -36.07 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.542 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' B' ' 39' ' ' ARG . 96.1 mt -84.03 -10.55 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.13 70.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.936 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -91.9 15.51 12.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.13 159.18 9.82 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.803 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' B' ' 80' ' ' ARG . 8.7 pt-20 -74.13 136.34 42.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.77 -0.215 . . . . 0.0 110.671 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' HD23 ' B' ' 34' ' ' LEU . 18.0 mtp180 -134.64 162.23 32.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.678 0.275 . . . . 0.0 110.354 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -78.36 159.34 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.518 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 77' ' ' GLN . 59.6 t -54.31 -43.41 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.288 -178.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.483 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.3 mp0 -58.72 -43.8 90.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.46 80.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.56 -51.65 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.614 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.48 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.32 -178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -58.0 -50.77 72.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.26 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.504 HG21 HG12 ' B' ' 30' ' ' ILE . 20.3 p -87.86 -18.71 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.584 0.23 . . . . 0.0 111.431 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.9 21.29 47.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.164 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -119.13 158.54 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -78.77 158.26 28.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 42' ' ' GLU . 93.9 mt -50.04 -46.71 53.27 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.522 0.514 . . . . 0.0 111.934 -175.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -60.27 -49.3 78.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.673 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -70.31 -37.22 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.882 0.373 . . . . 0.0 110.983 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.27 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.533 ' HA ' HD12 ' B' ' 59' ' ' LEU . 15.9 p -65.57 -32.99 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.05 97.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.747 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -74.84 -30.47 61.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.739 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' B' ' 56' ' ' SER . 56.6 mt -63.47 -41.52 98.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.231 173.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.16 -36.84 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.618 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.91 93.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' B' ' 27' ' ' ARG . 96.0 mt -67.79 -29.72 68.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 0.0 110.281 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -68.84 -42.81 76.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.725 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 7.4 p -71.52 -20.62 62.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.401 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.3 -28.93 62.98 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 171.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . 0.517 ' HA3' HH21 ' B' ' 17' ' ' ARG . . . 99.82 24.27 10.06 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.451 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.637 HD21 HG13 ' B' ' 18' ' ' VAL . 8.4 mt -98.78 -43.82 6.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 111.132 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.39 161.42 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.236 0.541 . . . . 0.0 111.513 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -130.96 164.08 26.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.772 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -118.84 136.88 53.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 0.0 111.25 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -132.05 113.03 12.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.141 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -78.95 128.8 33.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.059 0.457 . . . . 0.0 110.422 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.25 107.85 7.9 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.69 -121.62 12.76 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.124 -171.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -102.77 -4.1 25.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 109.938 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -94.11 151.19 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.478 ' O ' HG23 ' B' ' 41' ' ' VAL . 63.2 tt0 -116.59 116.49 27.68 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.465 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 83.7 m-85 -98.52 133.05 43.42 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.278 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.42 ' CD1' HD13 ' B' ' 59' ' ' LEU . 42.1 m-85 -106.62 131.87 53.27 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.029 0.443 . . . . 0.0 110.057 176.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.45 ' CB ' ' HB3' ' B' ' 38' ' ' GLU . 4.3 ptm180 -133.04 166.49 22.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.77 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 55.6 mt -74.77 135.64 26.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.45 66.49 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -174.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.45 173.62 41.89 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.468 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.99 -28.72 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.258 0.551 . . . . 0.0 110.438 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.45 -48.89 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.678 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 52.2 t -67.71 -38.51 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.523 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.12 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.838 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -65.2 -33.47 76.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.508 HD11 HG12 ' A' ' 93' ' ' VAL . 5.8 tt -60.27 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.047 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -65.24 -38.23 89.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.492 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.458 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.62 -46.38 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 96' ' ' VAL . 47.4 tp -63.26 -50.68 69.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.61 -31.45 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.763 0.316 . . . . 0.0 110.873 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -62.4 -44.13 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 109.955 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.9 t -63.81 -42.79 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.442 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 92' ' ' LEU . 91.1 t -55.32 -48.42 76.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.694 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.98 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.1 -50.36 74.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.04 -176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.435 ' OE2' ' HA ' ' B' ' 103' ' ' HIS . 23.5 tp10 -72.2 -13.36 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.945 0.402 . . . . 0.0 111.167 -176.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -86.99 -19.41 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.221 -0.3 . . . . 0.0 111.057 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.497 HD21 ' HG3' ' A' ' 14' ' ' GLN . 3.8 mm? -80.98 -30.86 34.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.83 0.348 . . . . 0.0 110.576 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.63 122.43 1.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 177.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' HIS . . . . . 0.435 ' HA ' ' OE2' ' B' ' 99' ' ' GLU . 73.5 m-70 -80.14 72.12 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.975 0.417 . . . . 0.0 109.971 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -75.48 45.07 0.29 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.361 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -165.73 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.418 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 34.5 m80 68.14 -72.9 0.09 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.88 0.737 . . . . 0.0 109.541 -173.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 12.3 p80 178.44 -44.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.254 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.246 0.917 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.571 175.178 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.085 0.469 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.3 107.11 3.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.256 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.6 73.96 2.18 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.225 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -55.41 134.15 50.23 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.757 0.328 . . . . 0.0 110.595 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p 58.65 174.54 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.478 1.111 . . . . 0.0 111.922 -175.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 9' ' ' ALA . 14.1 p-10 -97.38 115.66 28.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.423 0.63 . . . . 0.0 109.767 177.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -81.87 -29.28 32.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.507 -164.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.51 -23.22 61.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.163 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . . . -59.21 -33.29 70.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.257 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.03 83.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -76.52 -36.08 57.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.045 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.44 -40.92 89.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.69 -36.41 83.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.698 0.285 . . . . 0.0 110.428 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -58.13 -54.83 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.681 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.4 -29.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.718 0.294 . . . . 0.0 111.233 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -33.3 70.86 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.38 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -62.47 -42.03 99.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.21 -51.8 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.273 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.73 -25.88 71.88 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.773 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.35 -34.25 67.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.806 0.336 . . . . 0.0 110.682 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.31 -25.9 33.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.18 0.514 . . . . 0.0 109.9 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -35.61 72.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.642 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB1' ' HG2' ' B' ' 20' ' ' LYS . . . -80.14 20.66 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.034 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.98 -37.04 22.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.07 -62.1 4.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.95 0.405 . . . . 0.0 111.16 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HB3' HD21 ' A' ' 62' ' ' LEU . 42.4 mtm-85 -71.19 -10.04 59.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.832 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.738 0.304 . . . . 0.0 110.433 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -65.22 -28.93 69.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.043 0.449 . . . . 0.0 110.273 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.6 mt -72.61 -44.57 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.994 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.78 -39.62 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.25 -36.98 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.954 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 58.9 tp -74.74 -41.52 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.37 -4.85 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.312 -177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 -15.01 63.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.246 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.7 pt20 -99.3 -7.27 26.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.316 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.55 -133.51 4.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.055 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 9.1 pt-20 -123.52 137.05 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.064 0.459 . . . . 0.0 111.005 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 39' ' ' ARG . 11.8 mmt180 -137.68 147.57 44.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -70.03 152.24 44.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.467 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.1 t -53.7 -42.49 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 mp0 -59.3 -39.25 82.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.642 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.11 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.581 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 40' ' ' ALA . 80.9 mt -60.38 -44.28 95.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.24 -57.09 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.006 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.1 m -62.72 -39.32 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.6 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.74 73.1 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.9 p -95.76 -9.89 30.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 0.0 111.361 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.52 36.44 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.332 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.412 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 75.6 mtm -115.78 169.79 8.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -94.79 166.61 11.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 96.0 mt -53.99 -42.33 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.311 0.382 . . . . 0.0 110.876 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 p -57.06 -54.99 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.549 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.412 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 3.1 m -63.29 -42.54 99.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.223 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.64 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.242 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.0 t -61.32 -38.31 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.234 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.83 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.36 -35.25 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.152 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.25 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -64.82 -40.81 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 109.982 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.67 85.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.647 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 98.7 mt -73.65 -7.59 52.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.233 177.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 33.3 ttmt -78.11 -69.67 0.54 Allowed 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -47.92 -43.15 28.76 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.032 -175.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.92 20.82 3.21 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.908 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.647 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -115.28 -19.06 5.98 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 119.861 -1.161 . . . . 0.0 111.814 -176.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 67' ' ' LEU . 6.2 mt 76.33 40.69 0.23 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.711 169.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 62' ' ' LEU . 27.2 m -120.5 148.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 173.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.77 176.89 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.782 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 78' ' ' TYR . . . -139.83 142.36 36.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -127.18 133.89 50.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.177 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -87.78 103.78 15.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.481 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.18 89.77 3.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.826 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.8 -96.85 0.03 OUTLIER Glycine 0 C--N 1.33 0.205 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.937 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -91.64 -21.41 20.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.873 0.368 . . . . 0.0 111.451 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -113.89 167.61 10.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.184 0.516 . . . . 0.0 111.478 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 35.5 tt0 -124.68 114.42 19.3 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.6 m-85 -96.53 133.39 41.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.38 149.92 30.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 18.8 ptt180 -161.48 166.39 27.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -177.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.3 134.64 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -65.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.553 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.35 164.29 17.78 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.415 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -69.71 -26.48 64.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.82 -35.75 81.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.09 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 67' ' ' LEU . 60.4 t -65.49 -44.44 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.113 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.429 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.5 mtm105 -66.12 -30.24 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.468 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.45 -50.38 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.99 -31.61 70.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.328 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -72.22 -33.6 67.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 177.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.88 -46.73 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.402 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.34 -29.02 46.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.631 ' HA ' HD11 ' B' ' 11' ' ' LEU . 29.3 tt0 -65.17 -41.39 94.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.051 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.5 t -60.79 -44.52 97.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 110.323 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.5 -49.92 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.435 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' B' ' 11' ' ' LEU . . . -66.61 -48.44 69.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.134 -176.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -55.5 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.001 0.429 . . . . 0.0 112.098 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -80.3 -47.72 14.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -169.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -81.03 -2.55 48.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.868 0.366 . . . . 0.0 111.919 -169.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.583 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 43.3 tp -89.86 -1.8 58.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.677 172.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 1.5 mp0 81.5 116.97 0.06 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.834 -175.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -123.92 -81.41 0.64 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.895 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -155.03 135.03 12.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.65 -46.05 2.58 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.448 0.166 . . . . 0.0 111.448 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 32.7 m80 58.39 75.64 0.38 Allowed 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.502 0.501 . . . . 0.0 109.778 -173.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 106' ' ' HIS . 35.7 m80 72.57 177.13 0.26 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.35 -173.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.771 -0.633 . . . . 0.0 109.884 -175.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.86 -56.99 4.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 111.092 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.28 -110.19 3.06 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.673 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -110.3 119.06 38.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.909 0.385 . . . . 0.0 110.616 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -151.19 -84.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 48.46 53.55 11.86 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.527 0.517 . . . . 0.0 111.477 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -62.7 -20.51 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 23.7 ttmm -69.51 -28.27 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.885 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.66 92.05 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.639 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -31.51 72.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.725 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' A' ' 94' ' ' GLN . 22.9 tp -64.03 -53.26 52.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.847 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.39 -35.45 79.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.267 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.61 -45.6 71.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.232 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.92 -39.5 76.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.318 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.21 -30.48 48.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.531 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -66.43 -40.32 89.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.185 174.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -57.71 -47.0 83.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.732 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.534 HG13 HD21 ' B' ' 67' ' ' LEU . 58.3 t -60.93 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.568 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -45.79 95.18 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.531 ' HG2' ' HB1' ' A' ' 23' ' ' ALA . 59.9 mtpt -64.4 -25.58 68.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.544 0.211 . . . . 0.0 111.406 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.5 -39.57 62.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.4 -36.23 34.12 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.185 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.82 97.53 0.35 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.045 0.45 . . . . 0.0 110.821 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -166.27 -43.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.338 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.52 -59.12 0.94 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.427 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -68.64 -25.83 65.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 111.422 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -74.86 -16.71 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.34 -22.81 60.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.308 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -62.79 -33.29 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.168 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 58.9 mt -70.55 -42.74 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.141 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.03 -39.21 93.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.83 -32.86 73.21 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.608 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.4 tp -77.72 -46.66 21.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.007 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 51.7 mt -69.46 -15.73 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.822 0.344 . . . . 0.0 111.711 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.59 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.506 . . . . 0.0 110.134 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -91.43 -7.41 50.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.929 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.43 -178.01 22.64 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.354 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.5 OUTLIER -87.31 122.92 31.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.167 179.054 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.486 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -119.66 141.48 49.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.185 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -69.19 159.23 33.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.45 -40.94 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 110.916 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.515 ' HG3' HD21 ' B' ' 52' ' ' LEU . 2.2 mp0 -59.38 -44.71 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.08 72.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.968 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -58.72 -43.77 88.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.26 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.4 -45.25 84.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.061 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.3 m -63.11 -47.99 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.363 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -26.51 64.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.096 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.488 ' HB ' ' SD ' ' B' ' 50' ' ' MET . 26.1 p -93.96 -10.6 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.685 0.279 . . . . 0.0 111.465 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.23 34.7 60.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.079 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.488 ' SD ' ' HB ' ' B' ' 48' ' ' THR . 2.0 mtp -130.15 175.15 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -178.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -83.5 162.51 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' B' ' 42' ' ' GLU . 9.6 mp -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.9 t -60.51 -43.63 96.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.599 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 3.8 m -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.153 0.501 . . . . 0.0 110.476 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.37 69.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' B' ' 59' ' ' LEU . 65.6 p -65.14 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.529 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.227 0.537 . . . . 0.0 110.265 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.09 -37.78 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.19 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 56' ' ' SER . 86.8 mt -62.85 -39.59 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.618 177.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.09 -42.15 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.338 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.03 85.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 99.6 mt -65.75 -34.74 78.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -69.26 -38.65 78.52 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -65.71 -37.44 86.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.76 -23.21 76.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.404 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.19 17.79 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.725 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.534 HD21 HG13 ' B' ' 18' ' ' VAL . 21.4 mt -99.1 -26.32 14.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.95 145.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.538 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 68.0 mm-40 -112.07 151.17 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.972 176.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' B' ' 79' ' ' TYR . . . -117.92 109.8 16.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.406 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -116.99 130.35 56.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.229 0.538 . . . . 0.0 109.926 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' B' ' 72' ' ' ARG . 28.6 ttt180 -100.51 140.11 35.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.009 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.52 128.71 37.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 175.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.79 -99.41 0.3 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.63 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -131.35 4.85 4.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.634 0.254 . . . . 0.0 110.872 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -106.94 141.4 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.957 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -99.13 111.3 23.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 94.4 m-85 -96.19 131.05 43.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' B' ' 70' ' ' ALA . 26.1 m-85 -104.88 146.06 29.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.965 0.412 . . . . 0.0 110.543 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 2.9 tmm_? -155.97 162.17 40.39 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.48 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 64.6 mt -53.39 131.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.171 0.294 . . . . 0.0 110.267 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.52 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -55.32 -51.89 65.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.78 -178.68 25.86 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.923 -1.132 . . . . 0.0 112.994 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.36 -32.62 73.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 0.0 110.112 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -69.11 -41.27 77.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.802 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.526 HG13 HD22 ' B' ' 67' ' ' LEU . 59.5 t -67.88 -40.02 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.21 94.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.54 ' HA ' ' HB3' ' B' ' 91' ' ' ALA . 62.4 mtt180 -86.64 -8.64 57.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.89 -50.85 46.12 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.23 -33.89 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.951 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' B' ' 88' ' ' ARG . . . -66.63 -46.85 74.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.042 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.5 -45.39 87.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.303 -176.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.432 ' HA ' HG12 ' B' ' 96' ' ' VAL . 11.4 p -63.78 -29.71 48.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.14 0.495 . . . . 0.0 109.986 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -66.86 -45.36 78.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.131 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 87.4 t -63.71 -46.29 95.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.529 -178.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 93' ' ' VAL . 13.4 p -65.29 -31.47 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.61 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.93 -43.32 58.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.958 0.409 . . . . 0.0 109.898 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.13 -50.04 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.441 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.59 -51.19 63.78 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.345 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -84.28 -3.31 58.14 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.191 -174.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 23.9 tp -92.57 75.62 5.08 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 18.46 57.99 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.501 1.52 . . . . 0.0 113.953 -173.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -108.93 20.28 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.367 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -60.64 100.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -66.31 -71.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.71 -171.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -161.34 -65.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.041 -177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 70.34 -61.52 0.46 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.359 0.664 . . . . 0.0 111.725 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 p80 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.101 179.735 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HG3' ' H ' ' A' ' 2' ' ' ALA . 9.9 tpt . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.458 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . 62.22 26.93 16.17 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.638 0.732 . . . . 0.0 109.987 -174.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.68 -169.47 39.42 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.207 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -142.44 143.25 32.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.486 0.643 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m 62.89 96.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.817 0.698 . . . . 0.0 111.396 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.59 22.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.089 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 6.1 ptt180 -73.15 -11.49 60.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -57.32 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.05 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -29.82 70.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -36.81 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 91.5 mt -74.68 -38.68 62.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.955 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.45 -41.74 97.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.056 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.18 -42.86 91.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.89 -44.92 88.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.38 -44.78 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.33 79.04 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.913 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -58.16 -45.84 86.73 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.85 -50.35 80.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.56 84.6 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.035 -0.603 . . . . 0.0 112.4 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.57 -38.08 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.11 -20.67 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -3.85 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.581 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' C ' HD22 ' A' ' 24' ' ' ASN . . . -83.49 21.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.585 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.527 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -117.74 145.96 44.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.39 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.86 -60.27 1.09 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.68 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 26' ' ' ARG . 17.4 mtp180 -70.5 -19.53 62.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.875 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -74.1 -22.4 59.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.877 0.37 . . . . 0.0 110.594 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 88.2 mt -69.85 -21.77 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.96 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.537 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.6 mt-30 -58.64 -35.74 72.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.928 0.394 . . . . 0.0 110.402 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 58.6 mt -70.82 -42.6 77.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.623 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.04 -38.59 83.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.69 -47.62 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.365 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 79.9 mt -60.39 -38.9 85.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.9 mt -77.17 -19.86 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.245 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.49 -27.37 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.351 0.596 . . . . 0.0 109.715 174.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.23 -40.03 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.573 175.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.18 164.9 35.65 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.244 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 1.3 pm0 -77.69 109.13 11.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.267 0.556 . . . . 0.0 110.094 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 88.5 mtt180 -111.13 144.19 40.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.322 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 77' ' ' GLN . . . -72.33 152.58 42.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.245 176.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.66 -45.35 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 O-C-N 123.608 0.567 . . . . 0.0 111.366 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HG2' HD11 ' A' ' 52' ' ' LEU . 42.1 mt-10 -63.58 -41.07 98.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.25 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.801 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.3 -43.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.335 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.44 63.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.857 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.7 m -58.3 -48.53 80.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.59 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.25 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 p -84.02 -17.6 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.705 0.288 . . . . 0.0 111.386 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.85 26.84 40.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.87 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.9 mtm -118.76 170.88 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.63 164.58 14.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD11 ' HG2' ' A' ' 42' ' ' GLU . 4.4 mm? -57.17 -43.25 82.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.515 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 t -57.36 -39.15 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.346 . . . . 0.0 111.079 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -73.94 -45.4 50.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 110.529 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -63.19 -48.66 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.328 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 43.3 p -64.81 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.374 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.81 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 0.0 110.857 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -68.58 -33.43 74.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.804 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 86.3 mt -66.92 -37.65 84.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.144 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 56' ' ' SER . 86.4 mt-30 -64.78 -34.25 77.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.102 176.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 -29.37 62.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.741 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.865 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 97.3 mt -86.03 -8.03 58.22 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 68' ' ' VAL . 24.8 tptp -78.04 -69.61 0.54 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 168.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -47.46 -49.9 24.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.157 -174.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.9 25.92 3.32 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.04 -1.076 . . . . 0.0 112.417 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.865 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -111.47 -22.56 6.05 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 119.719 -1.229 . . . . 0.0 112.054 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.66 ' HB2' HG11 ' A' ' 86' ' ' VAL . 6.8 mt 78.32 36.0 0.23 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.985 -0.607 . . . . 0.0 111.683 168.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 81' ' ' ILE . 35.1 m -120.01 160.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 174.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -120.73 166.45 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.2 126.31 43.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.331 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.54 129.59 52.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.553 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 41.9 mtm180 -93.66 130.93 39.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.321 0.582 . . . . 0.0 112.233 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 31.7 tt0 -112.77 97.81 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.814 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.88 -98.79 0.37 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.359 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 m -103.64 -18.27 14.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 111.227 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -100.59 152.23 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 112.015 -172.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.553 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 51.4 mt-30 -108.83 121.57 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.439 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 22.5 m-85 -104.67 126.44 51.76 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' O ' HD22 ' A' ' 34' ' ' LEU . 15.6 m-85 -100.96 146.19 27.71 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.662 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.11 153.49 34.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.225 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.554 HD13 HG12 ' A' ' 68' ' ' VAL . 31.7 mm -59.67 132.28 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.61 85.92 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.7 162.96 28.3 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.394 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -29.51 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.352 0.596 . . . . 0.0 109.495 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' OD2' HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -54.2 -57.82 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.059 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 67' ' ' LEU . 60.8 t -59.35 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.075 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.72 93.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -77.26 -21.97 52.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD12 HD22 ' B' ' 92' ' ' LEU . 8.0 tt -64.07 -45.03 90.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 173.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 63.8 t80 -68.38 -37.46 80.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.374 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -64.96 -38.57 91.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.857 0.36 . . . . 0.0 110.705 176.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.64 -47.39 85.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.598 ' HA ' HG12 ' A' ' 96' ' ' VAL . 34.8 m -68.09 -29.2 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.198 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 90' ' ' PHE . 53.9 mt-30 -67.42 -40.93 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.934 0.397 . . . . 0.0 110.359 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 91' ' ' ALA . 86.8 t -70.71 -46.77 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.181 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 93' ' ' VAL . 8.4 p -62.56 -29.7 47.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.868 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.52 -46.03 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.66 -47.83 79.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.877 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -17.28 60.56 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.479 -175.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.12 -22.49 28.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.482 0.182 . . . . 0.0 111.083 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.77 -20.61 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.191 0.52 . . . . 0.0 110.607 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.14 174.24 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -56.13 108.75 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.198 0.523 . . . . 0.0 110.093 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -94.5 -60.65 1.67 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.397 -170.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -120.97 129.86 53.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.866 0.365 . . . . 0.0 110.372 -176.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -69.53 -81.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.783 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -163.08 171.11 16.9 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.538 -0.744 . . . . 0.0 109.562 175.264 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.04 -173.76 4.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.262 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.1 -137.5 4.59 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -102.68 103.02 13.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.386 0.612 . . . . 0.0 111.475 -174.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -114.61 8.69 16.37 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 173.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.16 -24.85 65.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.916 -174.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -59.54 -58.68 7.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.771 0.319 . . . . 0.0 111.603 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -68.7 -31.63 70.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.66 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.85 -42.24 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.35 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.202 0.525 . . . . 0.0 110.825 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.469 ' O ' HG23 ' B' ' 15' ' ' VAL . 93.5 mt -72.43 -40.83 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.985 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.99 -33.81 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.65 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.99 -46.75 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.479 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -64.65 -42.39 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 11' ' ' LEU . 73.3 t -60.0 -48.18 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.248 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.87 70.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.287 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.58 -38.76 74.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.973 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.746 HG13 HD11 ' B' ' 67' ' ' LEU . 95.9 t -63.42 -48.86 85.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.094 175.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.31 -34.7 90.68 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.295 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -66.29 -29.72 70.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.422 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -74.0 -32.68 63.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.043 0.449 . . . . 0.0 110.208 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tp -88.13 20.33 3.24 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.864 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.19 16.32 18.5 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.515 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 32.1 p30 -151.86 169.8 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.166 176.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.6 -46.88 4.46 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -165.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -69.99 -22.61 63.11 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 117.759 0.779 . . . . 0.0 112.111 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -76.53 -19.63 57.74 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.916 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 76.6 mt -76.5 -31.59 57.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 175.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' B' ' 48' ' ' THR . 47.2 tt0 -59.97 -35.18 74.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.323 176.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.9 mt -65.09 -47.93 85.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.132 174.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.23 -36.35 79.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.119 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.65 -43.12 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.91 -33.6 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.417 HD21 HD11 ' B' ' 44' ' ' ILE . 80.3 mt -79.45 -5.28 54.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.501 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.53 -4.7 28.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.342 0.591 . . . . 0.0 110.261 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.53 -12.04 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.441 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.28 -109.15 1.22 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.276 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.616 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 20.5 mt-10 -118.17 113.37 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.775 0.322 . . . . 0.0 110.42 -175.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' B' ' 39' ' ' ARG . 54.5 mmt-85 -120.59 146.39 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.644 0.259 . . . . 0.0 110.723 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.31 149.09 46.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.689 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.56 -37.53 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' B' ' 52' ' ' LEU . 48.5 mt-10 -60.81 -40.76 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.35 -41.24 76.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.417 HD11 HD21 ' B' ' 34' ' ' LEU . 79.6 mt -58.72 -50.31 79.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.66 177.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.27 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.395 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -65.86 -47.26 75.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 -178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -29.78 69.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.661 -176.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.464 ' HA ' ' NE2' ' B' ' 29' ' ' GLN . 23.3 p -92.4 -5.71 51.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.624 -177.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 35.58 79.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.55 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB3' ' HB ' ' B' ' 54' ' ' THR . 78.4 mtm -123.43 175.12 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.69 0.281 . . . . 0.0 110.277 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.32 169.02 11.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' B' ' 42' ' ' GLU . 4.4 mm? -62.02 -39.91 93.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -60.67 -49.75 76.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.636 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' B' ' 50' ' ' MET . 2.0 m -61.98 -45.16 94.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.42 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -60.34 -38.51 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.335 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.43 83.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.866 0.365 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -68.9 -38.07 79.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.79 -48.44 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 177.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.482 ' HA ' ' HB3' ' B' ' 63' ' ' LYS . 26.0 tt0 -65.7 -26.22 67.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -176.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.06 -48.42 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.422 HD23 ' HB1' ' B' ' 21' ' ' ALA . 69.1 mt -67.11 -32.02 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.879 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HB3' ' HA ' ' B' ' 60' ' ' GLN . 88.4 tttt -64.15 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.727 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -72.49 -24.55 61.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.283 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.8 88.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.328 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.97 21.53 73.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.839 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.746 HD11 HG13 ' B' ' 18' ' ' VAL . 6.7 mp -90.3 -45.15 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.516 0.198 . . . . 0.0 111.486 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -129.06 154.74 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.71 0.291 . . . . 0.0 111.436 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.414 ' HG3' ' HB2' ' B' ' 82' ' ' ALA . 31.1 mt-10 -137.6 161.77 35.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.094 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.47 143.46 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.271 0.558 . . . . 0.0 111.84 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.823 ' HB3' ' HB2' ' B' ' 78' ' ' TYR . 21.4 ttt180 -116.97 105.79 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.976 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.04 98.51 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -117.71 115.58 25.33 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.93 -102.12 1.39 Allowed Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.9 t -130.24 -4.09 4.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.001 0.429 . . . . 0.0 110.621 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -104.66 156.27 18.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.055 0.455 . . . . 0.0 111.219 -174.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -105.27 113.44 27.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.823 ' HB2' ' HB3' ' B' ' 71' ' ' ARG . 77.2 m-85 -90.95 157.13 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.607 171.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -130.78 140.76 50.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.616 ' HD2' ' HG2' ' B' ' 38' ' ' GLU . 15.0 ptm180 -144.34 162.07 37.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.84 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.65 129.86 31.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' B' ' 69' ' ' GLU . . . -53.13 -70.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.749 0.656 . . . . 0.0 111.907 -172.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.22 157.59 15.88 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.686 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -70.22 -25.04 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.22 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' B' ' 67' ' ' LEU . 25.7 t -66.41 -38.87 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.177 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.21 99.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.501 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.17 -29.35 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.951 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.32 -44.79 95.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.386 . . . . 0.0 109.974 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.46 -42.25 98.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.545 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.31 -38.49 81.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 89' ' ' LEU . 6.6 tt -61.41 -50.5 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.361 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.0 -32.23 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.306 . . . . 0.0 110.581 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -61.4 -43.98 97.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.147 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 91' ' ' ALA . 62.2 t -57.37 -53.42 44.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.852 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.13 -46.71 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.487 ' O ' HD23 ' B' ' 101' ' ' LEU . . . -56.96 -54.12 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.489 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -69.62 -48.88 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.471 -175.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -78.34 -8.84 58.9 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.8 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.487 HD23 ' O ' ' B' ' 97' ' ' ALA . 1.0 OUTLIER -82.28 93.52 7.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.14 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 71.6 -6.98 1.29 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 171.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -83.27 -27.47 29.83 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.799 -0.76 . . . . 0.0 111.461 -176.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' B' ' 105' ' ' HIS . 22.1 p80 -149.93 107.16 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.112 0.482 . . . . 0.0 111.981 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' B' ' 104' ' ' HIS . 20.5 p80 177.88 109.97 0.03 OUTLIER 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.24 169.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.56 -69.37 0.79 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -146.45 -48.97 0.2 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 171.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 17.5 p80 . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.395 170.634 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.733 0.301 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.66 104.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.993 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -133.77 -61.69 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 63.07 25.09 14.81 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.022 0.439 . . . . 0.0 110.785 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -161.83 -74.88 0.05 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.68 22.83 13.26 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.111 168.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.7 ttm105 -64.75 -47.95 76.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.272 0.558 . . . . 0.0 110.062 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -70.2 -33.1 71.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.112 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.04 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.264 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.37 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.206 0.527 . . . . 0.0 110.722 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.2 mt -73.2 -41.61 63.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.415 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.43 -28.93 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.27 -42.68 99.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.426 ' HG2' HD11 ' B' ' 101' ' ' LEU . 1.2 tp60 -64.24 -41.32 97.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 176.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' LEU . 90.3 t -62.16 -52.13 63.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.96 0.409 . . . . 0.0 110.522 177.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 22' ' ' LEU . . . -63.66 -28.05 69.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.713 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -63.65 -40.76 97.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.552 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG13 HD11 ' A' ' 67' ' ' LEU . 84.2 t -64.26 -48.72 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.092 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.39 99.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.161 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -65.51 -27.56 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.6 0.36 . . . . 0.0 111.07 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.05 -11.59 43.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.679 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.0 -10.68 24.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.903 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.77 55.34 2.68 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.688 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.4 t-20 -170.83 110.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.488 176.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.19 78.26 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.407 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -60.94 -38.73 86.89 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.922 0.361 . . . . 0.0 111.756 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 24' ' ' ASN . 9.3 ptp180 -80.28 -24.28 40.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 69.8 mt -73.85 -13.43 60.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -176.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.73 -33.17 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.58 -42.9 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.278 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 34' ' ' LEU . 77.3 mt -66.52 -30.77 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.907 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.9 -36.86 84.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 110.089 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.12 -36.48 47.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.679 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 2.7 mm? -70.21 -27.3 64.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.845 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -17.36 64.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.101 0.477 . . . . 0.0 110.835 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -83.31 -22.74 32.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.315 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.16 -175.43 30.86 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.101 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -72.18 127.04 31.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.133 0.492 . . . . 0.0 110.295 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -119.33 143.32 47.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.738 -173.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -77.5 148.79 35.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 77' ' ' GLN . 57.4 t -53.34 -39.11 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 111.079 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 42.9 mt-10 -61.75 -49.3 76.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.132 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -62.21 -48.99 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.75 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.363 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -57.48 -51.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.71 99.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 23.1 p -81.65 -11.99 58.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.73 36.2 37.99 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.674 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.412 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 23.5 ptp -132.68 175.16 9.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.693 0.246 . . . . 0.0 110.639 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.51 164.84 21.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.79 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 92.0 mt -61.18 -44.22 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -67.18 -31.79 72.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.818 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.7 m -71.27 -45.79 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.237 0.541 . . . . 0.0 110.358 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.49 89.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.077 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.6 p -67.96 -26.89 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.23 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.17 87.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.206 0.527 . . . . 0.0 110.271 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -67.05 -42.9 84.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.078 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.66 -36.29 78.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.732 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.55 -41.94 95.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.157 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.18 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.951 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.84 -28.45 65.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.212 0.53 . . . . 0.0 110.475 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -71.33 -45.36 63.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.321 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -72.24 -26.88 62.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.35 -25.6 74.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.781 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.09 21.82 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.901 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD11 HG13 ' A' ' 18' ' ' VAL . 10.1 mp -96.28 -41.5 8.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.51 155.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.308 0.575 . . . . 0.0 111.912 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.54 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 47.7 mt-10 -110.98 168.38 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.642 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.83 122.53 34.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HB3' ' OE2' ' A' ' 73' ' ' GLU . 17.0 mtp180 -123.96 123.09 39.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.415 175.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -97.06 105.99 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 71' ' ' ARG . 35.7 mm-40 -100.6 104.06 15.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.571 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.87 -112.18 4.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.885 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m -104.44 -13.38 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.965 0.412 . . . . 0.0 110.707 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -102.33 145.51 29.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.518 -176.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 41' ' ' VAL . 7.0 tt0 -105.89 130.9 53.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.062 0.458 . . . . 0.0 109.935 177.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -112.84 148.56 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.196 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -120.56 139.9 52.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.374 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -142.74 163.03 33.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.401 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.65 135.47 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.54 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.24 -38.32 68.34 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -174.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -169.49 173.71 43.8 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.988 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.09 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.532 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.05 -47.52 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.2 t -66.07 -40.37 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.28 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.641 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -66.21 -32.47 73.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.753 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.8 tp -59.68 -49.38 77.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.378 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.53 -36.8 85.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.477 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -69.65 -40.69 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.1 -38.65 69.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.266 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.69 -29.89 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.055 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -61.32 -43.16 99.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.709 174.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 57.5 t -54.4 -52.96 34.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.076 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.457 176.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.588 HG22 HG22 ' B' ' 86' ' ' VAL . 46.4 t -53.84 -47.27 63.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.897 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' HB1' ' CG ' ' B' ' 14' ' ' GLN . . . -60.14 -50.35 74.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.379 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.9 -43.78 91.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.523 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 95' ' ' VAL . 32.3 mm-40 -63.67 -31.68 72.92 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.95 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -105.58 -2.52 23.42 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.58 -47.03 77.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.878 0.371 . . . . 0.0 111.051 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -148.06 161.35 41.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.873 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -126.12 85.3 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.109 0.48 . . . . 0.0 110.763 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.418 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 21.8 m170 -94.83 -138.35 0.23 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 171.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 104' ' ' HIS . 72.7 t60 72.16 -66.25 0.31 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.367 0.417 . . . . 0.0 111.264 173.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -139.32 99.86 3.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -77.46 102.28 6.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.219 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--O 1.249 1.061 0 O-C-N 123.846 0.716 . . . . 0.0 110.8 178.285 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.18 -61.74 0.48 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.609 0.764 . . . . 0.0 111.387 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.39 166.86 25.42 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -116.8 132.09 56.78 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 67.34 116.8 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.886 0.741 . . . . 0.0 109.749 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -113.17 15.95 19.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.61 -170.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -70.39 -43.63 69.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.949 0.404 . . . . 0.0 110.683 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.26 -46.22 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.345 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.311 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.21 74.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.317 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.09 -32.59 69.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.46 . . . . 0.0 110.48 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.99 -37.24 61.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.571 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.01 -14.73 59.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.822 0.344 . . . . 0.0 110.792 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 7.3 tp60 -76.05 -45.8 32.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.74 -27.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.143 0.497 . . . . 0.0 109.948 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -36.44 82.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.281 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' B' ' 14' ' ' GLN . 39.7 ttt180 -62.03 -38.2 87.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.537 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.37 -50.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.04 -29.46 74.44 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.294 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.76 -39.7 94.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.039 0.447 . . . . 0.0 110.087 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -26.6 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 110.561 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -92.71 21.95 5.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.089 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.26 13.85 33.79 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -170.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.623 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 1.6 p30 -142.78 162.87 34.33 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.734 -0.604 . . . . 0.0 110.173 172.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.66 -48.86 6.01 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -166.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -82.02 -10.63 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -166.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HG2' ' OD1' ' B' ' 24' ' ' ASN . 22.6 ptt180 -91.82 -9.17 44.44 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 118.986 -1.085 . . . . 0.0 109.957 172.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 85.6 mt -73.15 -27.76 61.84 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.89 -31.09 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.081 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 63.2 mt -69.75 -39.37 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 177.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.99 -41.15 97.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.497 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.21 -33.08 74.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.452 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.447 HD22 HG12 ' B' ' 44' ' ' ILE . 10.4 tt -77.27 -28.19 53.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.025 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.584 HD12 HG11 ' B' ' 68' ' ' VAL . 82.2 mt -95.18 -6.93 40.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.314 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.66 -8.92 51.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.147 0.499 . . . . 0.0 110.484 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.86 12.82 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.584 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.16 176.01 14.14 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.982 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.464 ' C ' ' HD2' ' B' ' 39' ' ' ARG . 0.9 OUTLIER -91.57 125.24 36.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.154 0.502 . . . . 0.0 110.623 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.464 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -129.04 150.88 50.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.07 156.71 23.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 t -49.64 -37.79 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 123.6 0.562 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.1 -50.41 74.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.686 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.85 79.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.125 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.7 mt -57.43 -50.5 76.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.28 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.262 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 61.7 m -62.27 -47.6 83.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.72 74.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.679 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -88.19 -7.99 56.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 111.723 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.23 36.56 45.0 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.685 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptp -130.72 178.88 6.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.767 0.283 . . . . 0.0 110.341 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -87.32 154.14 20.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.65 -42.41 88.33 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.573 0.225 . . . . 0.0 111.565 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 28.8 m -66.28 -36.74 83.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.973 0.416 . . . . 0.0 110.337 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -64.48 -47.14 80.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.291 0.567 . . . . 0.0 110.191 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.891 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -62.46 -33.55 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.91 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.13 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.43 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -64.73 -39.92 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.489 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.37 -35.57 81.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.089 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -64.0 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.182 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.76 -45.75 81.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.579 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.35 -36.27 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' B' ' 70' ' ' ALA . 40.1 ttmt -64.46 -44.47 90.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.0 m -67.31 -32.66 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.407 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.95 -17.15 79.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.414 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 20.62 49.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.92 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.51 -40.59 18.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.584 HG11 HD12 ' B' ' 34' ' ' LEU . 27.4 m -133.21 150.27 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 111.731 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -106.09 149.19 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.876 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.409 ' HB2' ' HE2' ' B' ' 63' ' ' LYS . . . -102.93 128.69 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 0.0 110.819 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.65 108.34 11.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.742 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' B' ' 72' ' ' ARG . 48.6 mtt180 -83.76 131.31 34.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 112.52 9.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.59 -102.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.994 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -113.3 -17.24 12.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.188 0.518 . . . . 0.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ARG . . . . . 0.529 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 72.3 mtt180 -98.88 146.57 25.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.16 0.505 . . . . 0.0 111.861 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -100.42 107.88 19.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.529 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 97.4 m-85 -92.12 146.59 23.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.267 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.488 ' HB3' HD13 ' B' ' 34' ' ' LEU . 42.8 m-85 -122.01 143.04 49.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.192 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 18.9 ttm-85 -145.09 154.78 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.487 HD13 HG12 ' B' ' 68' ' ' VAL . 43.8 mm -51.67 134.09 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.11 62.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.284 -173.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.33 152.46 24.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.0 -31.94 73.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.067 0.434 . . . . 0.0 110.251 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -35.7 81.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 96' ' ' VAL . 36.1 t -69.8 -37.33 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.174 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 110.205 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.04 -25.26 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.993 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.53 -35.16 79.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.317 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.514 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.99 -43.17 75.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.837 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 60.6 tp -57.47 -51.23 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.216 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.513 ' HA ' HG12 ' B' ' 96' ' ' VAL . 10.5 p -66.47 -29.4 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.651 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -68.01 -45.94 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.176 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 85.0 t -66.26 -45.65 89.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.216 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 93' ' ' VAL . 8.0 p -61.44 -32.86 54.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.589 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.34 -46.31 28.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.021 0.438 . . . . 0.0 110.588 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.74 -37.41 84.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -85.09 -41.64 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.459 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -75.5 -28.31 59.12 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.426 HD11 ' HG2' ' A' ' 14' ' ' GLN . 11.0 mp -80.42 149.88 29.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.756 0.312 . . . . 0.0 110.57 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 58.42 91.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.348 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -129.54 93.79 3.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -88.06 68.29 9.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -159.41 126.04 4.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.321 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 59.77 74.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.803 0.689 . . . . 0.0 109.893 -174.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -65.27 -25.14 67.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.572 -174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.633 175.847 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.778 0.323 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.3 141.96 28.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.339 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.16 43.47 1.83 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.12 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 62.0 -83.2 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.232 0.613 . . . . 0.0 111.05 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 m 61.9 40.42 12.58 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 111.824 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.81 5.63 10.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 110.852 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 -65.53 -15.64 62.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.477 172.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -55.33 -28.7 55.45 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.275 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.91 69.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.118 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.4 71.85 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.088 0.471 . . . . 0.0 110.618 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD21 ' HG3' ' B' ' 94' ' ' GLN . 10.5 tt -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.54 -26.08 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.538 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.1 -50.75 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.765 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.506 HE21 HG23 ' A' ' 18' ' ' VAL . 23.1 tp60 -67.26 -40.61 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.374 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -59.68 -44.56 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.26 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.707 ' HA ' ' O ' ' B' ' 23' ' ' ALA . . . -62.23 -35.74 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.115 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.609 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 37.7 ttm105 -73.21 -32.33 64.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.725 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 67' ' ' LEU . 70.1 t -73.29 -47.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.19 175.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.17 -41.67 99.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.686 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -59.75 -39.11 83.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 110.538 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.82 61.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.117 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.55 -32.67 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.282 0.563 . . . . 0.0 110.3 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.34 101.16 4.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -162.93 -67.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.73 176.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 -85.24 0.38 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.349 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -73.15 -28.34 62.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HD3' ' OD1' ' A' ' 58' ' ' ASN . 50.7 ttp85 -70.24 -15.81 62.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.288 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.0 -17.48 60.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.169 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.34 -24.86 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 109.982 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -69.97 -36.87 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.961 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.13 -34.97 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.9 -30.79 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' HG2' ' A' ' 39' ' ' ARG . 6.9 tt -79.45 -45.14 19.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.955 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.27 -11.23 60.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.46 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.01 -14.61 62.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -82.15 -20.42 37.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.149 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.96 -155.18 23.68 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.626 ' HG3' ' HB3' ' A' ' 80' ' ' ARG . 26.9 tt0 -86.91 115.79 24.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HG2' HD21 ' A' ' 33' ' ' LEU . 6.6 tpt180 -125.97 147.97 49.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.804 -171.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 156.11 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.041 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.42 -41.16 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.827 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 1.8 mp0 -58.74 -45.71 89.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.344 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.04 97.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.876 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.4 -48.98 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.547 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.69 -50.89 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.088 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -59.66 -49.04 79.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.093 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.09 77.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -81.33 -19.52 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.228 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.87 15.97 57.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.328 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -114.32 176.4 5.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.679 0.275 . . . . 0.0 110.532 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -88.15 168.85 12.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.39 -46.65 87.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.805 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 t -67.31 -28.26 67.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 110.436 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -71.45 -46.19 60.64 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.382 0.61 . . . . 0.0 109.933 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.8 77.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 p -66.24 -31.11 71.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.48 96.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.522 ' OD1' ' HD3' ' A' ' 27' ' ' ARG . 34.9 m-80 -72.37 -35.37 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.424 HD23 HD12 ' A' ' 62' ' ' LEU . 78.9 mt -65.1 -36.98 86.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 176.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.883 176.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.56 91.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.764 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.424 HD12 HD23 ' A' ' 59' ' ' LEU . 87.3 mt -63.44 -41.62 98.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.723 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -68.87 -36.28 77.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.547 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.8 m -63.78 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.609 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -77.73 -26.81 60.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.039 175.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.97 21.04 11.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.519 HD11 HG13 ' A' ' 18' ' ' VAL . 1.4 mp -94.49 -40.45 9.88 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 m -123.77 163.41 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.278 0.561 . . . . 0.0 112.171 -174.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -126.69 172.8 10.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.868 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -144.9 132.66 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.858 0.361 . . . . 0.0 111.021 -177.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' HD3' HH11 ' A' ' 71' ' ' ARG . 59.6 mtt-85 -124.64 121.78 35.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.034 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -81.0 96.76 7.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 174.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -109.83 129.61 55.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.01 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.68 -101.14 0.97 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.441 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 m -131.86 1.82 3.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 0.0 110.485 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 42' ' ' GLU . 57.0 mtt180 -119.27 168.79 10.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.036 -175.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -102.66 122.55 44.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.713 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 55.6 m-85 -108.3 124.99 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 27.1 m-85 -100.52 148.05 25.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.266 0.555 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.626 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . 6.2 ptm180 -144.75 169.85 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.938 -175.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.11 140.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 39.26 0.46 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 143.13 138.25 3.4 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.93 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.66 -30.05 70.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 110.149 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.1 -34.7 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.492 . . . . 0.0 109.948 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.0 -35.5 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.868 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.46 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -72.73 -20.33 61.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.67 -49.54 74.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -66.55 -37.47 85.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.44 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.95 -44.84 91.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.45 -51.25 70.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.896 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.09 -30.14 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 110.925 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -69.35 -40.59 77.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.331 . . . . 0.0 110.207 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.1 t -63.19 -47.19 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.431 176.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.67 -39.66 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 176.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 100' ' ' HIS . . . -60.01 -49.1 78.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.767 177.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.61 -48.52 74.57 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -64.59 -22.38 66.96 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.122 0.487 . . . . 0.0 110.741 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 97' ' ' ALA . 10.9 m170 -61.41 -31.31 71.23 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.557 176.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.43 -41.08 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -80.16 -41.14 25.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.467 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 62.9 -171.47 0.17 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.86 0.362 . . . . 0.0 110.085 -174.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -137.4 36.46 2.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.571 0.7 . . . . 0.0 109.77 170.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -78.57 71.39 5.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.367 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -166.26 22.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.954 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -160.91 -69.75 0.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.668 -175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.2 p80 . . . . . 0 C--O 1.247 0.952 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 171.862 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.902 0.382 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.48 98.44 3.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.481 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.73 -13.75 71.85 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.963 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 60.92 25.06 15.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.131 0.491 . . . . 0.0 110.981 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -113.09 122.59 48.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.913 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -110.25 22.6 15.34 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -64.9 -38.97 92.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.894 -172.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' B' ' 12' ' ' LEU . 18.1 ptpt -61.32 -24.95 66.81 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.798 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.73 -30.36 62.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 110.278 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 15' ' ' VAL . 9.9 mp -74.26 -41.55 61.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 8' ' ' LYS . 89.2 mt -62.54 -35.87 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.351 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 21.3 t70 -63.39 -43.02 98.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.487 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.07 -45.21 94.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.953 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 11' ' ' LEU . 86.9 t -59.42 -39.52 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.299 176.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.55 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 57.3 mtt180 -65.37 -42.31 92.85 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 109.964 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 67' ' ' LEU . 91.3 t -62.09 -42.92 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.662 174.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.28 -26.47 71.66 Favored Glycine 0 C--O 1.221 -0.697 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.014 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.96 -30.83 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.299 0.55 . . . . 0.0 110.859 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' B' ' 62' ' ' LEU . . . -77.05 -42.06 39.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 109.913 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.483 ' HB2' HD21 ' B' ' 67' ' ' LEU . 33.0 tp -90.15 19.54 4.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.242 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 16' ' ' ALA . . . -69.01 -81.18 0.04 OUTLIER 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.53 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.412 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . 29.8 p30 -146.88 178.78 8.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.145 0.498 . . . . 0.0 111.762 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.66 173.91 30.83 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.345 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -70.89 -3.17 17.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.99 0.424 . . . . 0.0 110.672 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.565 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 76.9 mtm180 -58.55 -35.6 72.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' B' ' 31' ' ' LEU . 66.1 mt -66.65 -33.44 75.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.854 177.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -66.75 -36.29 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.677 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.5 HG12 HG21 ' B' ' 48' ' ' THR . 67.2 mt -66.23 -39.65 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.263 177.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 28' ' ' LEU . 96.0 mt -56.58 -46.74 80.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.193 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 19.9 t70 -62.0 -41.38 97.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.497 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.401 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 30.6 tp -63.6 -33.42 75.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.456 HD12 HG11 ' B' ' 68' ' ' VAL . 69.3 mt -85.49 -19.2 31.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.403 . . . . 0.0 111.024 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 -26.66 60.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 109.848 174.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 74.8 mt-30 -69.52 -27.95 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.672 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.88 171.87 33.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.288 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.51 ' HG3' ' HB2' ' B' ' 80' ' ' ARG . 25.3 tt0 -75.37 125.6 29.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.401 ' NE ' ' HG ' ' B' ' 33' ' ' LEU . 26.9 ttm-85 -135.06 137.23 42.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.128 0.49 . . . . 0.0 111.468 -171.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -77.78 151.83 33.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.687 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.43 -46.67 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 O-C-N 123.484 0.49 . . . . 0.0 112.099 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.438 ' HG2' HD21 ' B' ' 52' ' ' LEU . 38.3 mt-10 -58.53 -41.91 86.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.371 . . . . 0.0 111.117 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.02 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.7 mt -58.92 -51.66 69.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.28 177.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -56.08 -49.23 74.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.366 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -60.98 -48.82 80.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.434 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -33.59 76.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 0.0 111.777 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' THR . . . . . 0.5 HG21 HG12 ' B' ' 30' ' ' ILE . 28.3 p -86.03 -15.33 41.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.455 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 19.85 67.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.45 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 75.3 mtm -115.57 152.26 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -72.81 158.45 35.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.438 HD21 ' HG2' ' B' ' 42' ' ' GLU . 8.0 mp -54.35 -35.52 62.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -64.52 -46.13 84.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.156 0.503 . . . . 0.0 110.671 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 18.7 m -66.72 -45.74 77.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.94 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -52.95 63.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.197 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -56.39 -49.69 73.74 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.284 0.365 . . . . 0.0 111.224 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.01 -43.44 77.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 111.423 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 46.4 m-80 -73.5 -36.65 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.416 HD21 HG21 ' B' ' 30' ' ' ILE . 87.9 mt -64.6 -42.79 95.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.736 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.68 -33.26 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.3 -48.97 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.747 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.469 ' HA ' ' HB1' ' B' ' 21' ' ' ALA . 70.7 mt -60.75 -37.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.18 177.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -68.67 -35.95 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.157 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 53.0 m -70.22 -23.39 62.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.42 -13.2 74.03 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.918 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.43 22.36 47.81 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.305 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.631 ' HA ' HG11 ' B' ' 86' ' ' VAL . 8.7 mp -86.27 -48.49 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.87 0.367 . . . . 0.0 111.082 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.456 HG11 HD12 ' B' ' 34' ' ' LEU . 33.5 m -126.91 155.32 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.655 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -119.32 167.3 12.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.06 111.75 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.862 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -97.1 107.61 20.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.711 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -91.62 102.69 15.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.736 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.33 107.05 13.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.316 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.81 -115.02 4.82 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.444 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -106.55 -6.95 17.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 0.0 110.176 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -98.14 136.84 37.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.679 -173.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -103.75 109.95 21.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.486 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.428 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 97.1 m-85 -93.5 122.19 35.68 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.056 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.04 133.63 47.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.172 0.51 . . . . 0.0 110.272 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.546 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 1.5 tmm_? -151.19 156.1 40.23 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.546 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 33.7 mm -51.13 128.2 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.307 0.379 . . . . 0.0 110.646 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.04 89.61 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.507 -173.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.83 147.77 19.23 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 34.6 tt0 -62.86 -33.44 75.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.03 0.415 . . . . 0.0 110.335 -176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ASP . . . . . 0.577 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 6.7 m-20 -62.48 -31.94 72.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.631 HG11 ' HA ' ' B' ' 67' ' ' LEU . 61.7 t -65.93 -43.19 92.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.161 0.505 . . . . 0.0 109.779 175.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.41 91.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.33 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.577 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 97.8 mtt180 -61.33 -39.84 92.01 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.146 176.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.55 -47.23 82.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.686 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' PHE . . . . . 0.413 ' HA ' HG12 ' B' ' 93' ' ' VAL . 89.2 t80 -64.52 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.586 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.415 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.86 -39.86 87.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.287 177.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.545 ' O ' HG23 ' B' ' 96' ' ' VAL . 52.3 tp -62.9 -53.53 52.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.518 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' B' ' 90' ' ' PHE . 11.5 p -64.66 -26.85 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' GLN . . . . . 0.407 ' HG3' HD21 ' A' ' 11' ' ' LEU . 49.3 tt0 -61.25 -46.9 88.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 109.81 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' B' ' 99' ' ' GLU . 60.9 t -68.63 -42.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.293 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 92' ' ' LEU . 95.0 t -61.77 -15.58 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.366 0.603 . . . . 0.0 110.942 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.675 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -85.96 -56.84 3.28 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.723 173.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.55 -44.7 77.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -170.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -92.05 -13.72 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.938 -172.328 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -86.95 -19.73 28.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.967 0.413 . . . . 0.0 110.455 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' B' ' 97' ' ' ALA . 74.1 mt -81.76 -24.34 36.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.928 175.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.19 121.57 21.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.984 -174.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -99.16 110.14 22.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.585 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' HIS . . . . . 0.519 ' HB3' ' HB3' ' B' ' 107' ' ' HIS . 34.1 m80 -84.46 -45.52 12.58 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 66.84 -66.09 0.19 Allowed 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.281 0.988 . . . . 0.0 111.622 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -70.38 -38.48 74.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.134 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' HIS . . . . . 0.519 ' HB3' ' HB3' ' B' ' 104' ' ' HIS . 47.2 t60 -79.3 107.34 11.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.384 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.341 176.416 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.32 81.16 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.368 0.604 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.92 133.9 1.58 Allowed Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -70.65 101.24 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.087 0.47 . . . . 0.0 110.08 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -87.86 119.33 28.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.896 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 49.97 70.5 0.49 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.297 0.998 . . . . 0.0 111.749 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -90.12 -61.87 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.981 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.91 -29.15 69.42 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.532 0.206 . . . . 0.0 111.12 -174.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 13' ' ' ASP . . . -57.46 -29.31 64.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.509 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.62 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' B' ' 98' ' ' ASP . 4.2 mm? -69.75 -51.5 33.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.828 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.92 -19.98 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.36 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 25.8 t70 -65.57 -43.34 90.12 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.847 175.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.527 ' HB2' ' HB1' ' B' ' 97' ' ' ALA . 4.7 mm-40 -67.69 -45.61 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.962 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.86 -39.76 58.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.398 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.54 -54.4 47.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.581 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.37 -34.84 75.16 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.804 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 14' ' ' GLN . 96.5 t -64.71 -50.0 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.905 0.383 . . . . 0.0 110.238 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.05 -34.32 86.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.356 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -68.82 -35.61 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.634 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.98 72.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.0 0.429 . . . . 0.0 110.211 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -35.62 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.987 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 100.4 3.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.322 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.32 -41.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.264 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 82.07 -53.18 4.72 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.05 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.33 -43.55 92.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.725 0.297 . . . . 0.0 111.108 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -72.29 -15.62 61.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD12 ' HA2' ' A' ' 25' ' ' GLY . 80.4 mt -76.03 -14.14 60.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 111.016 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.72 -25.45 67.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.174 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 69.9 mt -69.44 -48.74 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 67' ' ' LEU . 96.1 mt -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.44 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.13 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.85 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 52.6 tp -72.88 -33.86 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.624 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 73.9 mt -79.77 -12.92 59.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.968 0.413 . . . . 0.0 110.958 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.58 -18.88 61.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.029 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.7 pt20 -100.49 6.83 44.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.15 0.5 . . . . 0.0 110.149 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.07 156.37 7.12 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.293 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 38' ' ' GLU . 8.2 pt-20 -71.47 131.88 43.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 139.35 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 -170.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -66.57 159.49 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.155 177.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.39 -52.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.607 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.22 -37.6 83.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.795 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.48 84.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.515 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.98 -44.48 98.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.32 82.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.971 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.4 m -61.99 -47.52 84.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.63 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.652 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -85.79 -14.18 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.33 . . . . 0.0 111.534 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.52 25.5 63.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.185 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.8 mtm -110.55 175.84 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' HB2' ' OG1' ' A' ' 54' ' ' THR . 6.1 m-20 -80.63 160.68 24.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.83 -35.49 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -60.28 -46.82 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.245 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 51' ' ' ASN . 3.0 m -62.47 -46.44 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.62 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -61.33 -56.09 24.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.113 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -60.53 -36.09 77.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.736 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.93 96.48 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.943 0.402 . . . . 0.0 110.842 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -73.19 -35.08 66.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.813 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.2 mt -61.46 -45.07 95.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.718 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -64.82 -37.32 87.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.626 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.38 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.037 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 67' ' ' LEU . 87.8 mt -65.45 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.716 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 m -69.17 -25.2 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.836 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.89 -11.66 61.42 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.171 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.32 25.48 28.38 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.693 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 62' ' ' LEU . 3.9 mm? -90.86 -48.25 7.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.23 157.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 112.065 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.871 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.96 159.99 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.969 179.203 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.38 129.67 52.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.232 0.539 . . . . 0.0 111.869 -174.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -109.0 117.2 33.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.358 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -89.44 115.78 27.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.015 0.436 . . . . 0.0 111.272 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -132.7 99.3 4.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.62 173.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.77 -129.07 27.11 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.919 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -87.6 -5.17 58.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -107.42 141.47 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.568 . . . . 0.0 111.746 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -114.17 117.56 31.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.506 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 89.0 m-85 -89.51 125.91 35.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.385 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 31.6 m-85 -99.77 145.5 27.63 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.449 0.642 . . . . 0.0 110.348 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.486 ' HE ' ' HB3' ' A' ' 69' ' ' GLU . 31.4 ptt180 -144.4 170.54 15.82 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.734 -173.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.82 127.96 31.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 172.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.871 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -53.17 -46.96 69.16 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.386 0.429 . . . . 0.0 111.891 -172.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.86 159.5 27.62 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.808 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -22.0 65.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.305 0.574 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.47 -48.69 78.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.423 174.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.72 -35.67 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.464 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.4 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.921 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -75.71 -24.95 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.446 HD11 HG22 ' B' ' 93' ' ' VAL . 9.3 tt -65.38 -45.75 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.559 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 60.5 t80 -64.15 -41.61 97.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.009 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.6 -36.64 84.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.728 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.11 -48.55 73.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.526 ' HA ' HG12 ' A' ' 96' ' ' VAL . 26.6 m -65.33 -28.72 45.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.672 0.273 . . . . 0.0 111.018 -177.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.654 ' HA ' HD21 ' B' ' 11' ' ' LEU . 55.9 mt-30 -64.28 -46.08 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.32 . . . . 0.0 110.166 175.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.2 t -65.58 -50.26 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 93' ' ' VAL . 12.3 p -63.02 -30.76 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.703 0.287 . . . . 0.0 111.492 -175.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' A' ' 101' ' ' LEU . . . -84.99 -46.21 11.42 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.371 -0.206 . . . . 0.0 111.491 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.569 ' HB2' HD12 ' B' ' 11' ' ' LEU . 14.0 t70 -76.67 -41.19 46.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -173.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.84 -19.45 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -170.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 7.5 p-80 -96.59 -3.49 42.88 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.127 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 97' ' ' ALA . 96.3 mt -80.03 -53.85 6.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.703 0.287 . . . . 0.0 111.154 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.39 121.04 9.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.858 -172.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 64.52 15.77 9.83 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.381 174.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' HIS . 73.1 t60 -134.99 41.98 2.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.341 0.591 . . . . 0.0 110.167 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -152.29 112.61 4.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.266 0.555 . . . . 0.0 110.642 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -115.57 13.13 16.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.025 0.441 . . . . 0.0 110.448 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 108' ' ' HIS . 79.3 t60 -155.78 86.39 1.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 107' ' ' HIS . 83.3 t60 . . . . . 0 C--O 1.245 0.845 0 O-C-N 123.871 0.732 . . . . 0.0 109.813 -170.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptp . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.842 0.353 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.54 -50.0 0.24 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.177 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.09 110.0 1.07 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.723 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -83.82 77.93 9.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.969 0.414 . . . . 0.0 110.276 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 53.5 m -111.05 153.16 26.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.355 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -93.52 126.95 38.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.294 -174.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 36.3 mtm-85 -92.54 -5.5 51.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.034 0.445 . . . . 0.0 111.12 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -89.1 -39.64 13.48 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.44 93.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.171 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.19 -28.23 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 94' ' ' GLN . 7.0 tt -68.08 -51.06 50.77 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.562 ' HA ' HG22 ' B' ' 15' ' ' VAL . 84.8 mt -63.32 -34.42 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.74 -42.39 99.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.822 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -73.66 -43.46 59.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.741 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' B' ' 12' ' ' LEU . 33.4 m -69.89 -28.01 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.94 -33.06 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.493 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 56.0 ttp180 -63.27 -44.37 95.3 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.082 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 96.7 t -60.8 -51.85 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.27 -30.23 76.91 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.405 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -64.76 -35.19 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.92 0.39 . . . . 0.0 110.37 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.451 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -77.27 -29.36 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 91.2 mt -72.9 -35.34 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.3 92.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.731 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -176.01 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.932 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 -55.7 4.41 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.795 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.418 ' HD3' ' H ' ' B' ' 26' ' ' ARG . 0.1 OUTLIER -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 -175.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.78 -13.29 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.975 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.1 -18.82 62.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -65.02 -28.32 69.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.69 -47.08 90.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.945 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.847 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.44 -45.89 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.835 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.06 -43.91 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.561 HD12 HG11 ' B' ' 68' ' ' VAL . 54.0 mt -78.17 -5.97 53.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.884 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.78 4.01 54.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 110.177 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -113.92 8.58 17.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.816 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.92 -160.05 26.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.599 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.54 127.72 54.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -123.25 142.34 51.03 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.176 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.416 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -72.27 155.28 40.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.964 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.75 -42.1 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.442 0.464 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.553 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.4 mt-10 -60.58 -41.2 94.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.096 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.21 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' B' ' 79' ' ' TYR . 72.1 mt -59.43 -45.26 93.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.401 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.05 -52.52 64.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.732 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.0 m -60.18 -48.7 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.5 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.95 76.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.137 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -87.04 -21.51 26.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.663 0.268 . . . . 0.0 111.396 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.49 66.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.074 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.1 mtm -107.66 123.6 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -56.28 155.87 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.212 0.32 . . . . 0.0 111.079 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -45.67 -47.5 15.02 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.6 m -60.26 -45.4 93.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.009 0.433 . . . . 0.0 110.929 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -67.37 -40.96 85.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.742 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.94 -50.47 70.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' SER . . . . . 0.537 ' HA ' HD12 ' B' ' 59' ' ' LEU . 21.0 p -66.43 -26.38 67.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.379 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.87 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.925 0.393 . . . . 0.0 110.258 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -69.5 -37.05 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.473 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' B' ' 56' ' ' SER . 92.8 mt -58.97 -46.71 87.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.679 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -62.95 -37.53 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.893 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.54 94.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.451 HD23 ' HB1' ' B' ' 21' ' ' ALA . 90.8 mt -71.63 -35.92 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -68.02 -36.77 80.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 45.5 t -64.65 -28.57 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.447 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.493 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -75.16 -27.75 63.49 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.745 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.49 20.87 11.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.136 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.63 -54.18 4.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.156 0.503 . . . . 0.0 111.302 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.561 HG11 HD12 ' B' ' 34' ' ' LEU . 32.3 m -115.55 164.66 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.147 0.498 . . . . 0.0 112.001 -173.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.55 172.86 10.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.924 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.89 129.81 24.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.24 155.44 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.757 0.313 . . . . 0.0 110.556 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.412 ' HD2' ' HG2' ' B' ' 77' ' ' GLN . 19.8 mmm180 -91.75 133.54 35.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.073 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -139.89 97.35 3.23 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.51 -108.12 2.36 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.642 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 39.6 m -104.27 -22.3 13.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.895 0.378 . . . . 0.0 111.025 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -109.98 157.64 19.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 0.0 111.627 -172.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.412 ' HG2' ' HD2' ' B' ' 72' ' ' ARG . 53.5 mt-30 -99.25 143.77 29.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.187 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.29 129.99 56.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.327 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.539 ' HB2' HD11 ' B' ' 44' ' ' ILE . 28.5 m-85 -101.16 151.5 21.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.142 0.496 . . . . 0.0 110.99 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.511 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 33.4 ttm180 -161.67 164.26 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.511 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 49.1 mm -59.35 140.49 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 173.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.15 -47.63 62.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.49 -171.43 38.03 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.395 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -37.96 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.805 0.442 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ASP . . . . . 0.482 ' OD1' HG23 ' B' ' 86' ' ' VAL . 0.4 OUTLIER -52.77 -65.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.858 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.482 HG23 ' OD1' ' B' ' 85' ' ' ASP . 63.4 t -63.64 -34.01 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.242 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.3 78.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.707 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -73.12 -21.79 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.13 -60.1 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -59.49 -36.2 75.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.075 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.626 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -59.37 -49.71 76.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.344 . . . . 0.0 110.592 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 89' ' ' LEU . 76.9 t -64.11 -41.82 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.043 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -24.39 60.88 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.626 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 91' ' ' ALA . 42.4 t -65.93 -50.34 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.532 0.206 . . . . 0.0 110.909 176.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -21.78 28.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.331 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.527 ' HB1' ' HB2' ' A' ' 14' ' ' GLN . . . -88.39 -15.51 35.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.395 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 26.4 t70 -92.94 -65.38 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -1.78 52.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -169.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -18.56 61.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.372 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.405 HD23 ' H ' ' B' ' 101' ' ' LEU . 2.3 pt? -134.64 121.36 20.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.034 0.445 . . . . 0.0 110.306 177.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.09 -49.94 1.7 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -151.98 -24.64 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.241 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -71.13 127.22 31.85 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.769 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -136.7 153.34 50.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.29 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -121.37 -72.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -152.27 100.85 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.645 173.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.803 -0.618 . . . . 0.0 110.084 178.065 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.691 0.281 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.88 -44.24 2.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.336 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.21 51.46 58.08 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -87.44 105.1 17.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.26 0.552 . . . . 0.0 111.388 -168.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -119.49 7.53 11.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 174.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.01 7.88 43.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.884 -174.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -65.17 -51.02 63.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.253 -174.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -34.23 77.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.355 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.51 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.5 67.82 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.11 -50.35 48.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.883 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.81 -28.19 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.99 -40.93 95.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.24 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.471 ' HG2' HD11 ' B' ' 101' ' ' LEU . 24.1 tp60 -69.92 -40.51 75.51 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.237 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.11 -41.99 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' B' ' 24' ' ' ASN . . . -60.03 -42.69 94.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.06 177.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 23.0 ttm-85 -61.03 -38.41 86.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.674 0.273 . . . . 0.0 110.929 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG13 HD11 ' A' ' 67' ' ' LEU . 76.5 t -70.42 -50.02 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.72 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.05 97.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.074 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.96 -32.29 73.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.869 0.366 . . . . 0.0 110.684 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.73 50.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.427 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.54 -35.62 60.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.52 103.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.325 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -175.76 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.911 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 103.66 -53.96 0.7 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.337 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -70.75 -37.65 73.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -67.56 -17.78 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD12 ' HA2' ' A' ' 25' ' ' GLY . 89.7 mt -72.39 -33.93 67.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.129 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -67.68 -30.13 69.58 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 109.793 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.512 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.1 mt -67.52 -44.35 86.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.984 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 62' ' ' LEU . 96.0 mt -61.79 -39.22 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.48 -40.15 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.975 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.51 -43.88 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 58.3 mt -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.197 -176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -9.68 58.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.673 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -104.21 4.21 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.33 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.04 154.91 6.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.664 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.75 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 8.4 pt-20 -75.26 126.44 31.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.224 0.535 . . . . 0.0 110.556 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -121.26 151.12 40.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 150.75 42.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.69 -41.81 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.11 -43.04 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.072 177.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.34 -40.84 57.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.822 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -57.29 -49.95 78.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.533 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.91 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.903 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -60.57 -49.47 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.31 86.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.428 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 27.2 p -84.44 -14.46 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 0.0 111.559 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.67 35.63 16.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.736 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.428 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 24.0 ptp -134.1 178.25 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -99.02 162.98 12.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.651 0.262 . . . . 0.0 110.61 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.459 HD21 ' HG2' ' A' ' 42' ' ' GLU . 8.7 mp -61.68 -37.98 86.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.535 -175.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.8 m -57.35 -49.43 76.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 111.172 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -69.13 -46.5 67.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.937 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.4 78.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.343 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -65.76 -36.51 83.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.805 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.89 85.73 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.355 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.97 -46.19 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.237 176.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 79' ' ' TYR . 87.5 mt -61.75 -40.65 95.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.948 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.14 -41.51 98.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.15 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 0.0 110.388 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.408 HD13 HD21 ' A' ' 31' ' ' LEU . 80.0 mt -64.62 -38.78 92.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.337 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.37 -43.16 86.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.6 m -68.62 -27.07 65.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.934 0.397 . . . . 0.0 110.721 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -71.65 -30.47 66.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.456 171.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.16 18.3 10.6 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.434 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 18' ' ' VAL . 10.9 mp -89.18 -45.18 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.33 155.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -117.9 164.7 14.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.104 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.44 129.33 49.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.005 0.431 . . . . 0.0 111.296 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -106.18 111.68 24.4 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 72' ' ' ARG . 43.5 ttm105 -83.85 97.76 9.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 109.657 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.98 103.57 13.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.39 -114.86 7.06 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.849 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -108.12 16.29 23.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.428 0.633 . . . . 0.0 110.278 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -120.87 146.14 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.213 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -110.97 115.79 30.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.011 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.1 m-85 -102.42 139.08 38.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.933 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' HD22 ' A' ' 34' ' ' LEU . 26.9 m-85 -118.48 146.26 44.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.024 0.44 . . . . 0.0 111.185 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.75 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 10.3 ttp180 -159.21 160.83 35.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.211 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.97 129.4 13.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 O-C-N 123.201 0.313 . . . . 0.0 110.483 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.79 -59.47 4.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.136 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -127.18 170.27 18.91 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.784 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.81 -29.61 70.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.21 0.528 . . . . 0.0 110.144 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.651 ' HB2' HG22 ' B' ' 96' ' ' VAL . 2.0 p-10 -58.3 -49.1 78.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.345 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 67' ' ' LEU . 58.1 t -66.96 -40.61 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.86 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.75 90.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.678 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 45.9 mtp180 -68.49 -35.11 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.756 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.04 -52.53 64.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.185 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.74 -35.52 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.66 -43.33 80.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.706 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 96' ' ' VAL . 61.9 tp -58.17 -55.47 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.51 -30.97 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -66.0 -46.62 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.308 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 91' ' ' ALA . 91.2 t -62.44 -41.82 93.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.791 0.329 . . . . 0.0 110.304 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 92' ' ' LEU . 84.7 t -56.62 -53.38 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.472 176.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.58 -49.06 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.782 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 11' ' ' LEU . 35.1 t70 -60.19 -53.88 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.42 -174.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -80.28 -23.8 40.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -85.89 -26.97 25.31 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.414 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.4 tp -92.64 -18.33 23.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.673 0.273 . . . . 0.0 110.731 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -48.22 78.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.393 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.05 135.37 34.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 83.3 t60 64.76 46.12 3.16 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.666 0.746 . . . . 0.0 109.173 -173.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -80.87 107.73 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 111.187 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -77.68 94.87 4.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.098 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.522 ' HB2' ' OE1' ' B' ' 4' ' ' GLN . 10.5 p80 -76.7 119.55 20.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.126 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 124.248 1.019 . . . . 0.0 111.219 -171.397 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.58 178.41 7.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.167 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.62 170.64 12.01 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.087 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.522 ' OE1' ' HB2' ' A' ' 107' ' ' HIS . 1.5 mt-30 69.38 -178.43 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.959 0.504 . . . . 0.0 111.102 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -150.63 -82.29 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.882 0.372 . . . . 0.0 110.824 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -106.55 136.6 46.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 7' ' ' ARG . 23.2 mtm180 -88.75 -34.91 16.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -58.9 -39.12 80.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.454 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.33 67.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.526 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.97 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 98' ' ' ASP . 2.6 mm? -73.81 -42.82 60.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.822 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.05 -33.9 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.524 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 12.4 t70 -62.67 -47.35 84.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 176.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.78 -45.52 82.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.004 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.38 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.077 0.465 . . . . 0.0 110.292 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.541 ' HB1' ' HE3' ' B' ' 20' ' ' LYS . . . -62.61 -39.49 93.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.757 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 55.1 mtt180 -58.43 -45.7 87.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 110.645 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.112 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.02 94.12 Favored Glycine 0 C--O 1.223 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.541 ' HE3' ' HB1' ' B' ' 16' ' ' ALA . 93.3 mttt -67.95 -37.73 81.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.173 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -78.07 -42.29 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 0.0 110.646 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.527 HD23 HD22 ' B' ' 28' ' ' LEU . 0.5 OUTLIER -92.28 26.11 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.71 -78.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.405 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.624 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 3.8 p-10 -165.22 167.63 17.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.636 -174.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.57 20.8 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.055 170.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.429 ' O ' HG13 ' B' ' 30' ' ' ILE . 9.2 mtm180 -65.43 -22.53 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.118 -0.541 . . . . 0.0 111.346 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.2 -39.05 71.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.197 0.522 . . . . 0.0 110.469 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.527 HD22 HD23 ' B' ' 22' ' ' LEU . 16.8 mt -78.91 -29.14 44.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.704 -175.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -64.17 -34.33 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.449 HG21 HD21 ' B' ' 59' ' ' LEU . 68.1 mt -64.55 -45.05 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.25 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.07 -42.4 94.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.82 -28.55 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.3 tp -79.68 -38.52 33.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 82.0 mt -71.63 -17.41 62.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.43 -5.38 42.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.2 0.524 . . . . 0.0 110.563 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -96.78 1.93 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.98 -129.06 3.63 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.761 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . 0.511 ' HB2' ' HD2' ' B' ' 80' ' ' ARG . 35.7 tt0 -133.22 117.27 17.22 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -131.1 146.24 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.837 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.655 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -74.77 154.46 38.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 77' ' ' GLN . 41.2 t -51.96 -42.76 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 O-C-N 123.484 0.49 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.01 -47.1 81.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.517 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.45 89.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.0 mt -60.75 -49.75 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.369 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ALA . . . . . 0.533 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -58.41 -47.27 84.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.176 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.6 m -61.15 -49.57 76.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.007 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.86 88.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.904 -176.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 18.0 p -80.8 -17.51 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.785 0.326 . . . . 0.0 111.65 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 35.35 49.29 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -174.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.533 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 28.0 ttp -125.39 143.26 51.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -75.41 155.81 35.99 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.473 -0.091 . . . . 0.0 110.972 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.16 -47.26 45.87 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -60.04 -46.86 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.072 0.463 . . . . 0.0 111.143 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' THR . . . . . 0.454 ' HB ' ' HG3' ' B' ' 50' ' ' MET . 3.7 m -67.55 -43.5 80.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.18 -52.17 60.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.771 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.4 p -61.86 -36.69 81.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.676 0.274 . . . . 0.0 111.135 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.11 87.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.668 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.403 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.8 m-20 -66.16 -37.21 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.772 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.449 HD21 HG21 ' B' ' 30' ' ' ILE . 78.6 mt -64.08 -42.6 96.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.159 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.66 -36.49 78.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.644 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.74 79.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.624 HD23 ' HB1' ' B' ' 21' ' ' ALA . 81.8 mt -62.83 -39.33 94.03 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.705 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' B' ' 68' ' ' VAL . 50.2 tttm -65.37 -46.34 80.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 37.8 m -67.42 -25.76 66.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.086 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.79 -29.14 67.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.577 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.99 11.38 30.17 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.743 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.581 ' HA ' HG21 ' B' ' 86' ' ' VAL . 10.8 mp -82.93 -48.25 10.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.51 -175.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' B' ' 81' ' ' ILE . 28.2 m -132.59 156.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.379 . . . . 0.0 111.168 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -122.43 166.0 15.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.251 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.81 136.27 49.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' B' ' 71' ' ' ARG . 35.5 ttt180 -117.56 145.66 44.12 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -128.81 125.51 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.013 -0.675 . . . . 0.0 112.311 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.433 ' HB2' ' HE2' ' B' ' 78' ' ' TYR . 70.5 mt-10 -122.12 108.95 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.742 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 -97.51 0.94 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.765 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -129.59 2.95 5.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.695 0.284 . . . . 0.0 110.967 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -94.56 130.9 40.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 111.003 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' GLN . . . . . 0.422 ' O ' HG23 ' B' ' 41' ' ' VAL . 52.0 tt0 -102.21 109.14 20.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.849 -178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.655 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 72.6 m-85 -92.44 151.91 19.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.274 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -125.6 148.05 49.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.484 173.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ARG . . . . . 0.511 ' HD2' ' HB2' ' B' ' 38' ' ' GLU . 55.3 ttt180 -163.61 156.82 18.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.649 -177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.512 ' HA ' HG12 ' B' ' 68' ' ' VAL . 63.4 mt -58.34 131.69 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.56 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.102 -173.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.86 156.79 21.29 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.395 -0.907 . . . . 0.0 113.255 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -58.14 -34.02 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.998 0.519 . . . . 0.0 110.578 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.78 -50.64 65.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.484 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' VAL . . . . . 0.581 HG21 ' HA ' ' B' ' 67' ' ' LEU . 60.1 t -69.55 -41.68 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.941 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ALA . . . . . 0.491 ' HB2' HG21 ' B' ' 81' ' ' ILE . . . -60.9 -46.29 91.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.968 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -71.63 -29.01 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.044 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 tt -69.37 -47.42 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.43 -35.67 81.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.055 0.455 . . . . 0.0 110.16 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.484 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.04 -44.45 80.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.1 tt -60.7 -49.24 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.66 -30.85 51.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 110.707 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.91 -41.09 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.3 t -62.28 -40.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.343 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 85' ' ' ASP . 98.6 t -55.47 -46.53 78.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.733 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.26 77.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.042 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.92 -34.96 78.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -76.65 -49.89 15.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.311 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -79.61 -19.16 49.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' A' ' 14' ' ' GLN . 27.3 mt -107.27 81.73 1.58 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 174.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -148.27 -73.69 0.19 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.949 0.404 . . . . 0.0 111.558 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.93 65.28 7.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -169.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -169.8 120.13 0.65 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.445 167.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -86.03 88.07 7.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.512 0.672 . . . . 0.0 111.127 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -140.69 100.7 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.786 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -107.97 -22.21 12.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.245 0.826 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.909 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.94 150.53 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.912 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.15 156.61 17.82 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.059 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.455 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 5.4 pm0 -86.77 15.06 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.062 0.458 . . . . 0.0 110.813 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 6' ' ' ASP . 2.8 p -67.84 146.38 53.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.145 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 5' ' ' SER . 26.6 t70 76.31 -32.12 0.2 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.45 0.7 . . . . 0.0 111.524 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.8 ttm180 -58.58 -38.13 77.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -62.0 -44.58 96.43 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.003 0.43 . . . . 0.0 110.09 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.29 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.151 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . . . -72.97 -21.48 60.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.248 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 92.6 mt -73.77 -47.34 39.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.002 0.429 . . . . 0.0 109.983 177.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' B' ' 28' ' ' LEU . 89.3 mt -66.82 -33.22 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.559 0.695 . . . . 0.0 109.589 176.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' HB3' ' HA ' ' A' ' 10' ' ' ALA . 7.3 t70 -64.72 -38.92 92.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.475 173.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -67.09 -49.07 66.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.998 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG12 HG22 ' B' ' 93' ' ' VAL . 33.7 m -67.24 -27.07 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.355 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -61.67 -42.2 98.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.496 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG13 HD11 ' A' ' 67' ' ' LEU . 60.5 t -66.35 -50.42 67.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.404 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.92 -31.06 79.55 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.598 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.54 -44.27 87.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.623 0.249 . . . . 0.0 110.842 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -26.58 63.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.244 0.545 . . . . 0.0 110.413 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 tp -74.36 -31.02 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.761 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 16' ' ' ALA . . . -78.01 16.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -169.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -89.56 -34.32 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.033 0.444 . . . . 0.0 110.008 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -65.56 2.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.378 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -68.34 -22.88 64.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.172 0.486 . . . . 0.0 111.24 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB3' HD21 ' A' ' 62' ' ' LEU . 98.9 mtt180 -71.78 -20.58 61.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.122 0.487 . . . . 0.0 110.016 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -80.48 -25.02 39.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.555 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -65.26 -33.23 75.49 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.224 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 62.0 mt -65.06 -44.36 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.086 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD11 HD23 ' A' ' 67' ' ' LEU . 91.8 mt -63.29 -41.38 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 177.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.7 -37.56 71.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.629 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 51.8 tp -77.1 -44.87 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.26 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 75.4 mt -73.88 -3.23 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.712 0.291 . . . . 0.0 111.677 -175.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.23 65.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.331 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 10.7 pt20 -84.24 -16.67 42.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -175.29 23.89 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -82.49 131.24 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.346 0.573 . . . . 0.0 110.366 -178.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -115.16 147.87 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.21 150.7 47.76 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.2 t -52.6 -40.64 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HA ' HD11 ' A' ' 52' ' ' LEU . 4.0 tm-20 -59.35 -44.03 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.455 177.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.87 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.063 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.94 -49.58 78.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.018 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.06 62.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.147 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 m -61.98 -46.06 90.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.5 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.38 66.53 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.0 p -95.63 -11.31 27.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.366 . . . . 0.0 111.449 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.44 35.27 29.84 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.158 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -125.32 158.27 34.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.1 159.47 30.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.874 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mm? -56.16 -42.06 76.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 p -67.56 -47.17 70.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.014 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 m -61.72 -48.37 81.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.967 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.53 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.087 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.5 m -59.79 -38.21 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.692 0.282 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.54 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' HD22 ' A' ' 58' ' ' ASN . 1.0 OUTLIER -79.89 -37.32 35.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.675 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.85 -46.57 87.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.284 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.68 -32.41 74.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.35 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.393 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 27' ' ' ARG . 80.5 mt -65.97 -33.33 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -69.99 -34.4 73.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.839 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.5 m -69.97 -26.04 63.91 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.116 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.49 -16.34 73.84 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.831 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 21.42 49.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.439 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.535 HD11 HG13 ' A' ' 18' ' ' VAL . 9.5 mp -91.52 -33.52 15.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.62 152.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 0.0 111.525 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.675 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 1.8 tm-20 -124.47 177.34 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.384 176.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.23 113.54 18.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 111.523 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -109.22 109.0 19.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.724 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -90.98 139.37 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.041 0.448 . . . . 0.0 111.045 -176.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -135.29 115.65 13.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.399 -0.818 . . . . 0.0 108.96 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.82 -112.51 4.13 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.515 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -113.3 -4.94 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.167 0.508 . . . . 0.0 110.512 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -100.87 146.48 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 7.9 tt0 -113.15 123.6 50.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.059 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 27.7 m-85 -103.66 136.85 42.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.156 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -107.15 140.63 39.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.038 0.447 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.41 ' HB2' ' HA ' ' A' ' 38' ' ' GLU . 14.7 ttp85 -152.92 161.46 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -46.48 130.55 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 O-C-N 123.463 0.477 . . . . 0.0 110.406 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.675 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -56.21 -36.07 68.01 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.58 0.55 . . . . 0.0 112.392 -171.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -164.34 169.78 39.28 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.084 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.88 -23.33 67.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.849 0.356 . . . . 0.0 110.308 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -57.45 8.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.136 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.4 t -70.14 -35.74 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.6 77.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -71.09 -30.8 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.49 -49.82 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.72 -36.82 84.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.47 -46.1 81.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.603 176.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 96' ' ' VAL . 48.9 tp -63.02 -48.91 76.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.373 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.72 -28.75 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.624 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -65.55 -43.16 90.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.7 t -59.07 -41.81 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.619 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 92' ' ' LEU . 61.8 t -53.63 -48.27 59.96 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.058 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.15 -47.75 33.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.49 -61.78 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.521 -172.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -75.37 -22.6 57.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -171.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -85.58 -33.94 21.57 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.793 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' B' ' 14' ' ' GLN . 3.5 mm? -66.75 -48.09 70.18 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.192 -0.203 . . . . 0.0 111.451 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.74 14.55 5.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.961 0.41 . . . . 0.0 111.52 -177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -80.81 -3.28 50.53 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 174.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -161.32 148.73 15.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.44 -1.254 . . . . 0.0 108.019 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -103.71 -67.64 0.88 Allowed 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.151 -0.619 . . . . 0.0 111.728 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -133.67 152.7 51.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.858 0.361 . . . . 0.0 110.528 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -95.0 153.11 17.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.7 t60 . . . . . 0 C--N 1.315 -0.893 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 176.082 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.2 131.08 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.596 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.61 -115.02 0.58 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.595 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 66.89 93.37 0.07 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.18 0.592 . . . . 0.0 111.896 -175.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.4 p -89.18 1.13 56.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.742 0.782 . . . . 0.0 109.743 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -91.79 12.45 21.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.351 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -60.06 -48.42 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.671 -173.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -63.13 -27.79 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.25 75.98 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -33.24 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 15' ' ' VAL . 4.0 mm? -74.7 -39.48 61.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.384 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.24 -37.02 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.16 -36.91 84.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.143 0.497 . . . . 0.0 110.168 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLN . . . . . 0.492 ' HG2' HD21 ' A' ' 101' ' ' LEU . 7.1 tp-100 -67.21 -39.29 86.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.565 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 11' ' ' LEU . 68.8 t -66.89 -38.57 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.206 0.527 . . . . 0.0 109.947 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . . . -63.18 -39.66 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.779 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 20.4 ttm-85 -60.6 -51.9 67.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.451 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.41 -31.44 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.58 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.96 87.02 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.581 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -63.49 -45.93 88.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.592 0.234 . . . . 0.0 110.647 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.05 -31.43 72.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -73.31 -26.85 61.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.16 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.38 64.85 5.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASN . . . . . 0.528 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 41.8 t30 -173.71 110.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 171.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' B' ' 29' ' ' GLN . . . -54.66 -35.9 58.19 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.647 -176.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' B' ' 26' ' ' ARG . 0.2 OUTLIER -59.51 -37.88 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.938 0.369 . . . . 0.0 111.711 -178.331 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.545 ' HG2' ' OD1' ' B' ' 58' ' ' ASN . 22.3 mtm180 -81.36 -23.65 37.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.499 . . . . 0.0 110.041 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 81.1 mt -75.35 -22.73 57.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.656 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 25' ' ' GLY . 27.2 mt-30 -62.39 -28.65 69.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.48 . . . . 0.0 110.543 176.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.5 mt -71.8 -46.89 59.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.905 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.88 -33.8 76.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.309 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.05 -43.38 91.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.199 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 60.2 tp -70.22 -41.12 74.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.963 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 84.8 mt -66.39 -25.55 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.217 -178.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.33 62.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.539 . . . . 0.0 110.377 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -103.49 8.63 37.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.913 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.58 150.28 6.8 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.62 146.13 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' B' ' 43' ' ' ALA . 0.0 OUTLIER -143.38 158.41 43.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.45 -170.159 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -88.64 161.81 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.01 -48.34 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.463 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.25 -46.28 88.92 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.757 0.313 . . . . 0.0 110.973 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ALA . . . . . 0.509 ' HB3' ' HG3' ' B' ' 39' ' ' ARG . . . -68.29 -38.53 81.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.0 mt -61.91 -49.71 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.97 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.957 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -63.33 -43.02 98.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.644 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.09 74.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.511 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 27.0 p -89.07 -7.92 54.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.386 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.18 35.56 60.61 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.014 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.4 mtm -122.01 169.46 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -85.61 154.42 21.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.033 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.51 -53.89 48.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -66.13 -26.81 67.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.239 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 35.6 m -74.59 -36.88 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.008 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.69 85.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.4 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 34.6 p -65.62 -32.92 74.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.48 96.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.069 0.461 . . . . 0.0 110.79 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.545 ' OD1' ' HG2' ' B' ' 27' ' ' ARG . 37.5 m-80 -68.16 -38.85 82.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.77 -36.23 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.617 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -59.75 -42.59 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.779 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.602 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.53 -33.81 69.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' B' ' 69' ' ' GLU . 23.6 tptp -68.22 -48.06 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.969 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 17.8 p -69.45 -27.56 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.283 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.21 -30.5 64.99 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.919 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 30.08 7.82 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.743 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -95.97 -30.47 13.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.541 0.21 . . . . 0.0 111.429 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' VAL . . . . . 0.435 ' O ' ' HD2' ' B' ' 63' ' ' LYS . 27.5 m -134.99 162.9 37.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLU . . . . . 0.565 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 80.6 mm-40 -123.13 173.16 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.404 173.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.86 147.79 52.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.923 0.392 . . . . 0.0 111.362 -176.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 71' ' ' ARG . 36.3 ttm180 -129.57 130.15 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -91.95 112.97 25.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.673 0.273 . . . . 0.0 110.279 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -127.67 110.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.472 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.68 4.34 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.798 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 m -104.06 -16.81 15.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.459 0.647 . . . . 0.0 110.291 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -108.19 152.18 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.177 -171.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -111.76 124.91 53.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.576 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' TYR . . . . . 0.58 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 35.9 m-85 -98.22 150.9 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.429 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -125.51 142.69 51.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -147.33 167.94 23.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.161 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.25 139.67 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 123.201 0.313 . . . . 0.0 110.171 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.565 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -62.68 -27.41 69.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -172.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.34 174.13 44.34 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.53 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 24.7 tp10 -65.65 -36.82 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 110.734 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ASP . . . . . 0.426 ' CB ' HG22 ' A' ' 96' ' ' VAL . 1.1 m-20 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.234 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.56 -36.46 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.81 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.355 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 21.9 mmm180 -65.45 -37.88 88.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.243 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.06 -52.24 66.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.35 -38.8 90.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.467 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.09 -46.3 71.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.41 -48.82 73.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 15' ' ' VAL . 8.0 p -65.02 -29.36 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 110.628 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -67.41 -40.6 85.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.184 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 91' ' ' ALA . 84.6 t -62.89 -44.92 99.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.17 176.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.43 -43.66 83.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.83 42.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.97 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.81 -47.0 77.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.745 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLU . . . . . 0.527 ' O ' ' HD2' ' B' ' 103' ' ' HIS . 50.9 mm-40 -63.11 -61.02 2.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.001 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -76.06 -5.11 44.96 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -168.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 63.9 tp -87.32 -27.2 23.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.044 0.45 . . . . 0.0 109.908 173.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -86.23 -45.14 11.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.681 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' HIS . . . . . 0.527 ' HD2' ' O ' ' B' ' 99' ' ' GLU . 57.7 m-70 -56.12 132.22 49.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.189 0.518 . . . . 0.0 112.117 -171.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 80.15 -35.9 0.14 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.862 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 23.0 p80 54.07 -1.38 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 170.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -148.6 145.72 27.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 118.597 0.635 . . . . 0.0 111.019 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -123.59 135.65 54.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.445 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 12.6 p80 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.311 -179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.91 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.167 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.8 -30.37 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.59 -25.22 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.0 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.9 tt -73.17 -43.79 60.91 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' B' ' 28' ' ' LEU . 86.0 mt -65.05 -32.98 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.255 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -57.64 -43.98 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.451 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.74 -39.36 80.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 11' ' ' LEU . 95.1 t -63.26 -44.78 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.38 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.34 -32.18 73.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.97 -50.46 68.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.478 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -67.36 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.528 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.32 94.74 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.04 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 93.3 mttt -61.54 -35.9 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.387 . . . . 0.0 111.031 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' HD23 ' A' ' 62' ' ' LEU . . . -69.89 -42.86 72.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.758 HD21 HG12 ' B' ' 15' ' ' VAL . 10.4 tt -73.96 -36.08 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.291 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 93.46 0.91 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.06 0.457 . . . . 0.0 111.135 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -170.48 -41.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.027 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.94 -58.73 2.45 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.537 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -68.96 -35.41 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.848 0.356 . . . . 0.0 110.758 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 58' ' ' ASN . 24.8 mtm180 -72.19 -12.11 61.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.353 . . . . 0.0 110.903 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.696 HD21 ' HG ' ' A' ' 22' ' ' LEU . 93.9 mt -76.63 -22.16 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.028 0.442 . . . . 0.0 109.813 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.38 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.18 -49.35 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.188 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.572 HD11 HD23 ' A' ' 67' ' ' LEU . 94.9 mt -60.57 -43.51 97.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 12.8 t70 -62.24 -38.38 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.72 -35.14 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.467 HD21 HD11 ' A' ' 44' ' ' ILE . 65.5 mt -76.17 -25.94 55.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.288 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -16.45 64.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.278 0.561 . . . . 0.0 110.325 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' HH21 ' A' ' 39' ' ' ARG . 64.9 mt-30 -96.58 4.18 52.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.014 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.3 143.86 4.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.188 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 7.3 pt-20 -72.38 137.01 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.695 0.283 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.434 HH21 ' HB2' ' A' ' 36' ' ' GLN . 58.9 mtt-85 -140.23 157.43 45.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 111.112 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -77.46 159.42 29.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.91 -47.09 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -56.93 -41.05 77.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.816 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -47.59 58.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.354 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.467 HD11 HD21 ' A' ' 34' ' ' LEU . 75.5 mt -60.36 -49.51 83.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.943 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.65 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.306 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.8 m -62.92 -39.32 94.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.393 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.07 83.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.431 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -90.63 -6.64 54.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.986 0.422 . . . . 0.0 111.327 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.48 31.66 45.07 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.654 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.4 mtm -117.02 155.07 29.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -74.17 139.08 44.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.236 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.52 -41.1 72.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.181 0.301 . . . . 0.0 111.655 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 m -60.02 -47.81 84.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 m -68.72 -36.0 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.57 75.45 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 18.9 t -56.88 -38.5 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.166 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.85 -51.02 71.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.85 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.469 ' HB2' ' CD ' ' A' ' 27' ' ' ARG . 32.8 p30 -81.39 -21.06 39.25 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.701 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.59 -39.65 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 56' ' ' SER . 28.1 mt-30 -65.26 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.391 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.505 HD23 ' HB1' ' A' ' 21' ' ' ALA . 89.0 mt -71.54 -32.99 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -68.25 -46.39 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.488 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 p -65.92 -29.76 70.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.73 -32.17 77.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.752 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.28 15.39 17.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 31' ' ' LEU . 8.4 mp -86.7 -49.07 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.709 0.29 . . . . 0.0 111.473 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.76 156.42 33.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.155 0.503 . . . . 0.0 111.506 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -130.29 170.44 14.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.407 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.76 142.77 51.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.892 0.377 . . . . 0.0 111.252 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -124.74 140.07 53.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.395 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.88 109.77 21.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.093 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.609 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 34.2 tt0 -109.05 102.68 11.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.16 -106.99 2.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.787 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -122.93 6.94 9.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.176 0.512 . . . . 0.0 110.914 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -104.18 143.3 33.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -101.74 106.33 17.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.785 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 75.0 m-85 -93.39 131.08 38.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.949 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -101.2 139.87 36.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.254 0.549 . . . . 0.0 110.618 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 28.2 ttt-85 -141.71 152.8 44.18 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.8 134.75 23.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.92 51.57 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.382 0.426 . . . . 0.0 111.706 -173.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.77 170.75 36.01 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.85 -18.92 65.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.209 0.504 . . . . 0.0 110.463 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.87 -55.4 27.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.999 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 67' ' ' LEU . 45.1 t -72.43 -36.21 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.593 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.246 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -69.15 -29.42 67.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.394 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.51 -44.6 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -66.19 -38.38 87.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.523 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.26 96.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.119 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.729 HD22 HD13 ' B' ' 89' ' ' LEU . 7.1 tt -61.6 -52.08 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.711 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.452 ' HA ' HG12 ' A' ' 96' ' ' VAL . 34.6 m -63.1 -31.51 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.66 -49.94 60.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.339 . . . . 0.0 110.222 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.31 -46.31 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.819 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 93' ' ' VAL . 10.0 p -64.34 -33.6 63.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.41 -42.21 54.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.795 0.331 . . . . 0.0 110.259 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.04 -53.02 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.754 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 C--N 1.331 -0.219 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.411 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 pttt . . . . . 0 N--CA 1.46 0.061 0 CA-C-O 120.64 0.257 . . . . 0.0 111.445 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.28 91.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.276 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.51 -32.16 72.18 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 110.919 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 15' ' ' VAL . 3.3 tm? -66.92 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.19 -30.53 67.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.065 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.7 -43.66 98.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.296 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -62.8 -40.22 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.701 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.758 HG12 HD21 ' A' ' 22' ' ' LEU . 81.4 t -66.35 -41.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.693 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -62.92 -32.12 73.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.023 0.44 . . . . 0.0 110.846 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -63.99 -49.65 71.64 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.682 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.476 HG12 ' O ' ' B' ' 65' ' ' GLY . 16.9 m -68.7 -27.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.886 0.374 . . . . 0.0 110.066 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -40.47 96.05 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.891 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 97.0 mttt -62.36 -40.64 97.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.91 0.386 . . . . 0.0 110.463 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -34.12 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.539 ' HA ' HD21 ' B' ' 28' ' ' LEU . 96.9 mt -85.01 -6.84 59.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.91 13.39 18.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.971 0.415 . . . . 0.0 111.204 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.509 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 29.7 m-80 -118.01 102.08 8.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.89 -40.41 93.1 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.698 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.11 -28.13 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.918 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.564 ' HB3' HD21 ' B' ' 62' ' ' LEU . 3.0 mtm180 -92.42 -20.75 20.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' B' ' 22' ' ' LEU . 76.9 mt -68.14 -35.17 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.346 176.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.96 -35.48 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 109.977 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.15 -38.24 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.407 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.76 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.64 -28.87 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.282 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -78.75 -43.36 25.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.879 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.67 -15.26 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.476 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.4 44.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.47 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -97.88 -8.18 28.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.51 165.45 12.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.056 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.743 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 0.0 OUTLIER -82.32 132.89 35.22 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.228 0.537 . . . . 0.0 110.211 178.307 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -141.07 150.21 42.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.136 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -73.02 155.96 39.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.029 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.31 -42.31 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.793 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -59.61 -44.68 93.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.664 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.42 88.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.89 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.71 -47.74 89.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -60.35 -51.72 68.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.163 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -61.06 -45.22 95.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.361 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.16 81.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.671 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -86.85 -18.5 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.807 0.336 . . . . 0.0 111.368 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.12 19.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.951 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.4 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 76.9 mtm -123.88 156.55 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 110.683 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -66.19 145.77 55.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.96 -42.65 94.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -64.21 -44.42 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.9 m -66.8 -40.75 88.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.82 96.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.568 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 55.9 m -57.74 -41.13 81.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.531 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.551 ' HA ' HH11 ' B' ' 27' ' ' ARG . 84.9 m-20 -59.28 -46.53 88.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.897 177.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.545 HD13 ' CD1' ' B' ' 79' ' ' TYR . 83.1 mt -64.96 -42.85 94.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.165 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.41 -41.15 93.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.767 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.05 91.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' B' ' 27' ' ' ARG . 94.5 mt -63.87 -39.98 95.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.544 . . . . 0.0 110.452 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.59 -35.27 78.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.13 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 38.9 m -69.48 -27.67 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.688 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.476 ' O ' HG12 ' B' ' 18' ' ' VAL . . . -80.64 -18.6 70.25 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.06 176.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.12 19.8 32.39 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.18 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.45 ' HA ' HG11 ' B' ' 86' ' ' VAL . 4.5 mm? -83.32 -46.5 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.676 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.18 159.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.68 159.84 25.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.404 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.3 109.22 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.909 0.385 . . . . 0.0 110.615 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -108.58 104.37 13.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -100.08 128.8 46.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.69 -172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.59 127.38 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.789 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.97 -115.45 6.53 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.191 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 p -115.8 11.66 15.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.992 0.425 . . . . 0.0 111.106 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . 0.491 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 52.1 mtt180 -114.15 143.56 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.886 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 28.9 tt0 -108.63 104.06 13.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.491 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 58.3 m-85 -91.4 133.41 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.545 ' CD1' HD13 ' B' ' 59' ' ' LEU . 51.5 m-85 -104.59 143.16 33.43 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.036 0.445 . . . . 0.0 110.004 174.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.743 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 13.3 ttt180 -152.6 154.2 34.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.924 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.36 131.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.15 -44.73 52.67 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.51 0.506 . . . . 0.0 112.013 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.78 164.74 33.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.795 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 12.9 pt-20 -58.47 -32.95 69.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 110.56 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 88' ' ' ARG . 2.7 m-20 -59.52 -44.08 93.27 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.953 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' B' ' 67' ' ' LEU . 40.2 t -69.4 -38.74 77.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.965 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.12 95.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 41.0 mtm-85 -66.83 -30.51 70.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.687 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.729 HD13 HD22 ' A' ' 92' ' ' LEU . 65.9 tp -67.49 -50.3 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.516 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.99 -38.73 92.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.313 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.466 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.58 -44.41 94.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.473 176.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.466 ' O ' HG23 ' B' ' 96' ' ' VAL . 57.4 tp -60.08 -52.68 64.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.708 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.78 -30.9 51.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.957 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.81 -42.53 81.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.919 0.39 . . . . 0.0 109.965 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 91' ' ' ALA . 70.4 t -65.6 -44.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.532 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 92' ' ' LEU . 97.2 t -60.49 -44.6 96.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.658 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.17 -54.41 46.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.518 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.23 -37.21 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.629 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -25.75 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.214 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.914 -179.209 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 7' ' ' ARG . 13.8 mmt180 . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -55.68 -45.43 77.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.292 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.03 82.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.99 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 15' ' ' VAL . 57.5 tp -76.09 -50.97 13.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.42 -35.06 79.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.42 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.238 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.55 -41.92 75.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.169 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 HD21 ' B' ' 22' ' ' LEU . 63.0 t -62.24 -42.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.078 176.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -67.28 -27.34 67.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.17 -51.79 58.97 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.38 -40.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.639 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.16 -39.12 94.07 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.854 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 60.1 mttp -64.92 -33.36 75.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.966 0.383 . . . . 0.0 110.511 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' HA3' ' A' ' 65' ' ' GLY . . . -74.71 -19.36 60.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.03 -30.3 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.043 0.449 . . . . 0.0 110.444 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 73.6 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -139.5 -164.11 1.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.492 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.1 -116.22 2.96 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.153 -1.023 . . . . 0.0 112.311 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' A' ' 26' ' ' ARG . 8.8 ptt180 -69.46 -3.53 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.49 -34.09 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.185 0.517 . . . . 0.0 110.546 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 HG23 ' B' ' 15' ' ' VAL . 67.6 mt -70.31 -16.0 62.95 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.547 -174.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.04 -32.39 73.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 0.0 109.659 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.43 HG21 HD21 ' A' ' 59' ' ' LEU . 59.7 mt -69.51 -39.45 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.659 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.94 -47.62 85.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.33 -34.49 78.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.59 -39.04 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.643 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.3 -13.92 59.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -27.11 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.61 -25.49 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.993 0.425 . . . . 0.0 110.779 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.27 179.62 35.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.67 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -74.03 145.11 44.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.881 0.372 . . . . 0.0 110.69 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -141.71 145.09 34.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -80.88 150.27 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 56' ' ' SER . 70.4 t -53.85 -42.33 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 111.332 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 tm-20 -57.6 -45.44 85.31 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.279 0.562 . . . . 0.0 110.335 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.14 -43.14 68.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ALA . 78.5 mt -58.24 -50.49 78.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.79 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.98 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.173 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.7 m -60.6 -49.71 76.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.45 86.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.934 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.8 p -83.82 -18.8 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.652 0.263 . . . . 0.0 111.516 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.06 33.31 12.28 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.487 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.8 mtm -124.79 169.52 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -80.02 159.43 26.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.031 0.443 . . . . 0.0 111.516 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 86.6 mt -60.26 -52.36 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.015 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -40.72 78.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.941 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -63.09 -48.13 79.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.756 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.45 90.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.101 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' HG11 ' A' ' 41' ' ' VAL . 10.5 p -63.35 -36.42 83.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.33 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.0 76.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.728 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 94.9 m-20 -60.77 -42.91 98.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.148 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -64.99 -38.77 92.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.688 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.44 -31.27 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.802 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.53 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 78.4 mt -62.74 -36.93 84.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.682 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.08 -41.76 94.72 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.84 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -68.78 -20.83 64.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.658 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . -87.8 -7.11 75.27 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.276 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.43 11.54 62.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.914 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.536 ' HA ' HG11 ' A' ' 86' ' ' VAL . 4.4 mm? -77.09 -50.73 12.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 81' ' ' ILE . 27.8 m -134.09 162.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.336 -174.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -119.09 158.44 25.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.971 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.82 116.05 30.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.775 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -99.65 104.38 16.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.606 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -100.73 107.82 19.52 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -125.08 107.7 11.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.222 0.534 . . . . 0.0 110.149 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.16 -121.36 7.57 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.301 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -103.57 -4.59 23.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.405 0.621 . . . . 0.0 109.941 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 10.5 mmp_? -101.57 138.94 37.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.676 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.178 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 63.4 m-85 -101.29 146.6 27.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' HD13 ' A' ' 59' ' ' LEU . 22.7 m-85 -120.89 139.0 53.82 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.185 0.517 . . . . 0.0 110.94 175.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HD3' ' HB3' ' A' ' 38' ' ' GLU . 13.6 tpt180 -135.55 149.15 49.36 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.645 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.469 ' HA ' HG12 ' A' ' 68' ' ' VAL . 41.8 mm -54.44 127.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.79 -52.72 55.62 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.686 0.616 . . . . 0.0 111.526 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.6 157.64 25.8 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.444 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.29 -16.1 63.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.82 -50.49 70.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 170.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 67' ' ' LEU . 39.6 t -72.09 -34.08 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.478 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.12 92.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.11 -35.65 81.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.0 tt -60.76 -63.28 1.35 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.862 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.56 -37.54 87.71 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.485 0.183 . . . . 0.0 111.007 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -59.81 -48.73 80.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.317 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.1 tp -58.97 -49.2 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.385 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.777 HG12 HG12 ' B' ' 15' ' ' VAL . 93.1 t -54.97 -44.33 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.502 ' HG2' HD23 ' B' ' 11' ' ' LEU . 10.3 tt0 -69.88 -41.55 74.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.372 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' ALA . 80.4 t -65.86 -47.18 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.018 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.02 -39.23 77.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.994 0.426 . . . . 0.0 110.398 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' B' ' 14' ' ' GLN . . . -61.94 -44.99 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.841 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.73 ' HB2' HD21 ' B' ' 11' ' ' LEU . 16.2 t70 -62.06 -53.34 56.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.328 -0.362 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -172.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.667 ' HA ' ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.112 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.54 72.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.374 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -82.68 -23.57 34.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.457 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 98' ' ' ASP . 7.0 mp -65.18 -37.77 88.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.34 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' B' ' 15' ' ' VAL . 98.7 mt -66.31 -25.04 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.776 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -76.34 -37.63 57.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.31 0.576 . . . . 0.0 109.61 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 14.0 mm100 -66.08 -49.98 65.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.811 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.777 HG12 HG12 ' A' ' 93' ' ' VAL . 28.9 m -67.07 -30.42 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 20' ' ' LYS . . . -66.08 -36.27 82.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.037 0.446 . . . . 0.0 110.417 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' B' ' 64' ' ' SER . 7.5 ttp180 -71.9 -48.14 47.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.499 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' B' ' 15' ' ' VAL . 32.7 m -67.69 -35.71 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.077 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.52 -30.63 64.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.684 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' B' ' 16' ' ' ALA . 31.2 ttmt -65.8 -33.1 75.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.169 0.509 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.612 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -78.47 -38.06 41.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.882 ' HG ' HD21 ' B' ' 28' ' ' LEU . 7.8 tt -78.51 -13.12 59.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.582 -174.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.48 8.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.431 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 34.3 m-80 -122.55 122.11 38.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.722 0.296 . . . . 0.0 111.218 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -40.29 98.59 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.698 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.859 ' HA ' HE21 ' B' ' 29' ' ' GLN . 6.6 ptp85 -69.36 -14.02 62.69 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.615 -0.344 . . . . 0.0 111.417 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 97.4 mtt180 -93.17 -26.64 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.027 0.441 . . . . 0.0 110.029 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.882 HD21 ' HG ' ' B' ' 22' ' ' LEU . 96.0 mt -72.74 -31.07 64.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.859 HE21 ' HA ' ' B' ' 26' ' ' ARG . 46.7 mt-30 -59.57 -32.6 70.51 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 65.5 mt -66.31 -47.83 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.146 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.62 -41.85 98.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.37 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.868 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' HG3' ' B' ' 39' ' ' ARG . 55.1 tp -72.16 -39.4 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.845 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 79.1 mt -71.41 -26.11 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.4 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.417 0.627 . . . . 0.0 109.998 174.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -93.7 15.38 16.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.403 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.88 153.55 7.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.404 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.47 129.5 38.93 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' HG ' ' B' ' 33' ' ' LEU . 21.1 mmt180 -127.17 149.91 49.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -172.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.9 170.27 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.29 -55.06 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.451 0.47 . . . . 0.0 111.76 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.91 -40.48 84.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.74 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.18 -46.13 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.69 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.25 96.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.332 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.0 m -67.35 -46.04 74.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.3 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.745 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.512 ' HB ' ' HE2' ' B' ' 50' ' ' MET . 22.5 p -89.74 -11.76 41.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.654 0.264 . . . . 0.0 111.421 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.36 36.03 59.72 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.512 ' HE2' ' HB ' ' B' ' 48' ' ' THR . 71.0 mtm -125.51 170.62 11.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.585 0.231 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.74 160.25 28.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.902 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.61 -42.92 93.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -60.92 -48.18 83.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 177.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -59.62 -47.41 85.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.659 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -59.91 -44.74 94.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.391 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.231 0.539 . . . . 0.0 110.166 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.534 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 93.5 m-20 -68.23 -43.52 77.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.603 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 90.4 mt -59.83 -44.44 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.587 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -59.62 -46.32 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.298 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.13 92.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.612 HD23 ' HB1' ' B' ' 21' ' ' ALA . 98.7 mt -67.57 -32.71 73.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -76.43 -35.13 58.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.716 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . 0.474 ' O ' ' HD2' ' B' ' 17' ' ' ARG . 32.1 m -67.27 -28.35 67.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.469 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -73.72 -25.97 70.66 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.492 174.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.36 23.01 25.4 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.079 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.471 ' HA ' HG11 ' B' ' 86' ' ' VAL . 7.3 mp -91.7 -32.81 15.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -176.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.26 152.52 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 111.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.39 163.9 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.732 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' B' ' 79' ' ' TYR . . . -136.99 163.35 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.093 0.473 . . . . 0.0 111.808 -175.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' B' ' 71' ' ' ARG . 9.4 ptp85 -128.73 151.3 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.635 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -96.07 117.04 29.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.74 0.305 . . . . 0.0 110.672 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -127.48 97.07 4.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.939 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.85 -125.12 10.95 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -174.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -90.91 -14.56 31.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.033 0.444 . . . . 0.0 110.548 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -94.52 158.61 15.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.669 0.747 . . . . 0.0 112.514 -174.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -131.75 127.65 37.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.398 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -105.84 126.97 52.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.31 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' B' ' 70' ' ' ALA . 55.2 m-85 -108.23 151.78 25.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.094 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -162.05 162.06 28.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.06 134.62 16.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.203 0.314 . . . . 0.0 110.446 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.62 -65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.712 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.31 149.53 18.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.012 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.1 OUTLIER -68.68 -27.03 65.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.732 0.301 . . . . 0.0 110.39 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . 0.406 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 31.2 t70 -71.42 -31.54 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.216 0.532 . . . . 0.0 109.745 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' B' ' 67' ' ' LEU . 52.7 t -65.71 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 109.364 173.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.81 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.988 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 83.5 mtt-85 -65.46 -38.97 91.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.293 176.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 93' ' ' VAL . 7.2 tt -63.76 -47.92 79.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.103 178.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -63.1 -38.73 92.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.514 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.46 -43.05 95.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.368 177.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.49 -52.5 64.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.945 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.497 HG23 HD11 ' A' ' 89' ' ' LEU . 10.6 p -62.73 -32.89 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.873 0.368 . . . . 0.0 111.012 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -69.34 -41.18 76.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 83.9 t -63.41 -44.17 98.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.435 177.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.55 -46.12 90.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.528 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.29 -45.87 86.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.145 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.75 -48.65 76.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.541 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.416 -175.003 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.624 0.25 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -62.3 -29.43 70.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.66 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.722 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.23 -27.33 63.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.25 0.548 . . . . 0.0 110.574 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.1 mp -68.9 -30.82 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.643 176.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.99 -32.75 73.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.124 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -64.67 -38.26 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.038 0.446 . . . . 0.0 110.274 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HB3' ' HB1' ' B' ' 97' ' ' ALA . 5.0 tp-100 -69.61 -41.27 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.968 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' LEU . 53.2 t -57.22 -41.82 78.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.85 79.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.391 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HD2' ' OE1' ' A' ' 14' ' ' GLN . 72.4 mtt85 -68.38 -32.2 72.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 62.0 t -66.99 -50.61 62.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.15 94.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.381 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.77 -40.44 95.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 0.0 110.316 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . -68.1 -28.78 67.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.792 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.492 HD21 HD21 ' A' ' 67' ' ' LEU . 74.5 mt -90.2 2.84 54.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.51 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.39 14.09 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -137.62 124.15 20.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.678 0.275 . . . . 0.0 110.709 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.06 -39.61 97.38 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.412 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.19 -24.58 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 111.037 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 21' ' ' ALA . 37.6 ttm180 -80.37 -28.91 37.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.001 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.47 -22.34 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.265 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.63 -30.94 71.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.13 175.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 43.9 mm -63.96 -45.44 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.98 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.65 -38.63 91.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 17.2 t70 -62.84 -39.52 94.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 44' ' ' ILE . 10.1 tt -71.28 -41.32 70.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 80.1 mt -69.14 -21.67 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.79 -13.53 60.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.179 0.514 . . . . 0.0 110.376 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 55.5 mt-30 -92.61 -3.97 54.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.31 155.42 7.74 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.493 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.472 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 9.9 pt-20 -72.26 147.63 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -151.55 153.32 34.31 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.304 -170.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 155.57 39.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.25 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.6 t -50.31 -55.68 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.437 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.509 ' HG2' HD21 ' A' ' 52' ' ' LEU . 52.7 mt-10 -61.95 -35.85 79.68 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 111.151 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . . . -67.49 -43.71 80.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.473 HG23 HD13 ' A' ' 33' ' ' LEU . 76.9 mt -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.244 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.32 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.07 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -59.34 -46.54 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.79 95.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.644 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.6 p -79.39 -20.12 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.65 15.88 55.91 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.233 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtm -105.44 168.47 9.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.592 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -84.44 167.25 16.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 42' ' ' GLU . 10.5 mp -64.08 -38.47 91.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.432 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 p -59.8 -46.93 87.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.172 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.6 m -64.62 -46.01 84.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.786 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -62.15 -52.2 64.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.584 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.548 ' HA ' HD12 ' A' ' 59' ' ' LEU . 19.3 p -62.09 -36.4 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.777 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.63 -46.15 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.019 0.437 . . . . 0.0 110.699 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' HB3' ' HG3' ' A' ' 27' ' ' ARG . 89.9 m-20 -64.3 -36.77 85.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.687 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.1 mt -63.06 -49.5 74.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.949 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.04 -35.35 80.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.02 76.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.071 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.77 -33.08 74.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.972 0.415 . . . . 0.0 110.693 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -67.26 -41.52 85.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.755 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.54 -21.8 74.71 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.905 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.41 26.87 12.69 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.427 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD21 HD21 ' A' ' 22' ' ' LEU . 11.2 mp -101.23 -47.34 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.707 0.289 . . . . 0.0 111.754 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 m -117.1 152.88 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.235 0.54 . . . . 0.0 111.811 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -122.59 163.84 19.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.911 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -120.56 142.43 49.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.175 0.512 . . . . 0.0 112.053 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 71' ' ' ARG . 24.3 mtp180 -100.33 143.06 30.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.234 171.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 29.9 mtp-105 -121.86 96.68 5.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.981 0.42 . . . . 0.0 110.305 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.0 103.34 13.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.61 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.88 -107.09 1.91 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.192 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -111.89 0.86 16.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.3 mtt85 -97.6 139.9 32.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 111.257 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.469 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 28.0 mt-30 -117.84 117.2 28.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.336 176.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.9 m-85 -101.61 146.47 27.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.78 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 59' ' ' LEU . 35.7 m-85 -113.61 143.33 44.75 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.561 177.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.472 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 19.3 ttt180 -142.39 150.05 40.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.745 -170.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 83' ' ' GLY . 59.2 mt -67.45 129.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.63 6.68 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -170.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 81' ' ' ILE . . . 161.76 158.57 9.55 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.83 177.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 12.9 pt-20 -68.59 -15.58 63.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.881 0.34 . . . . 0.0 110.495 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -47.53 86.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.124 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.448 HG13 ' HG ' ' A' ' 67' ' ' LEU . 96.0 t -66.08 -41.45 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 175.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.47 85.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.198 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 65.8 mtt180 -65.72 -34.39 78.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.81 -50.93 71.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.77 -41.9 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.601 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -64.98 -41.36 95.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.463 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.6 tt -63.95 -53.26 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.675 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.79 -31.02 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.65 -40.26 95.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.2 t -62.32 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.046 0.45 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.562 HG21 HD12 ' B' ' 89' ' ' LEU . 60.5 t -60.85 -25.5 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.142 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.96 -48.42 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.69 -47.68 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -171.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -169.124 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.7 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.303 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.13 76.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.972 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.89 -42.5 69.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.328 0.585 . . . . 0.0 109.628 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.74 -32.83 72.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.41 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -33.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.02 -43.79 74.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.831 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.27 -41.21 86.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 121.307 0.575 . . . . 0.0 110.073 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -58.88 -37.1 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.934 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.01 -42.73 99.47 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.12 -48.97 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.369 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.59 -30.52 77.6 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.298 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -65.57 -34.29 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.89 -17.78 32.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.81 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.96 -7.63 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.352 0.596 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' B' ' 24' ' ' ASN . . . -82.44 145.44 29.84 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' B' ' 23' ' ' ALA . 0.9 OUTLIER 81.55 112.29 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.606 1.191 . . . . 0.0 110.773 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.96 -20.42 74.57 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.748 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -52.41 -42.99 64.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.97 0.385 . . . . 0.0 112.029 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 27' ' ' ARG . 6.0 ptt180 -90.99 -10.21 43.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 111.196 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.91 -25.8 59.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.76 -29.42 69.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.146 173.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 70.7 mt -68.94 -48.74 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.492 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.27 -37.88 78.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.212 0.529 . . . . 0.0 110.244 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.68 -40.49 95.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.13 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 56.4 tp -71.58 -39.2 70.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.732 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 56.8 mt -75.67 -12.8 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.83 -15.2 59.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.253 0.549 . . . . 0.0 110.071 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -98.97 4.84 47.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.274 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.53 172.65 13.14 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.524 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 10.4 pt-20 -85.37 139.2 31.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.895 0.378 . . . . 0.0 110.585 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -134.82 157.61 46.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.352 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -74.31 153.45 39.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.964 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.29 -43.9 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.405 ' HA ' HD13 ' B' ' 52' ' ' LEU . 3.1 mp0 -62.07 -38.33 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.713 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.29 86.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.198 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 40' ' ' ALA . 74.6 mt -61.53 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.491 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.05 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.255 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -72.09 -49.04 39.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -28.81 70.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.909 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -88.03 -23.68 23.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.666 0.27 . . . . 0.0 111.429 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.5 35.61 22.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.252 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.3 mtm -126.45 161.24 28.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.76 140.3 58.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.834 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 42' ' ' GLU . 61.5 tp -53.03 -52.86 57.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.01 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 18.2 m -63.64 -40.82 97.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -66.0 -39.92 90.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.151 0.5 . . . . 0.0 110.668 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 31.5 m -59.84 -41.08 90.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.25 95.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.761 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.24 -33.81 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.76 -34.41 77.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -70.02 -37.59 75.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.285 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -39.51 87.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.025 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.724 ' HA ' ' HA3' ' B' ' 66' ' ' GLY . 91.5 mt -75.82 -6.58 51.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' B' ' 63' ' ' LYS . 38.4 ttmt -80.12 -70.36 0.52 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 169.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -58.48 -33.1 69.41 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.62 22.75 2.99 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.704 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' B' ' 62' ' ' LEU . . . -121.63 -20.45 3.19 Favored Glycine 0 CA--C 1.507 -0.467 0 C-N-CA 119.743 -1.218 . . . . 0.0 111.502 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.556 ' HB2' HG11 ' B' ' 86' ' ' VAL . 6.4 mt 76.46 43.09 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.731 -0.734 . . . . 0.0 112.006 168.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.563 HG22 ' O ' ' B' ' 62' ' ' LEU . 27.5 m -119.06 162.25 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 172.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.554 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 53.3 mt-10 -115.08 163.78 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.1 136.12 54.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.221 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -127.2 122.6 34.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.387 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' B' ' 72' ' ' ARG . 51.9 mtt180 -97.29 108.63 21.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -111.58 87.26 2.51 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.24 -114.18 5.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.432 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.9 p -100.29 15.52 27.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.352 0.596 . . . . 0.0 110.703 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -107.83 127.72 53.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.641 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.59 HE21 ' HA ' ' B' ' 77' ' ' GLN . 0.0 OUTLIER -107.86 104.05 13.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.939 174.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -97.1 139.82 32.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.15 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.474 ' O ' HD22 ' B' ' 34' ' ' LEU . 13.2 m-85 -122.83 147.06 46.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.186 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.524 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 10.8 ttm180 -159.44 161.49 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.498 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 59.8 mt -56.6 138.7 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 123.266 0.354 . . . . 0.0 110.194 176.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.554 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -62.77 -32.01 73.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.419 ' H ' HG22 ' B' ' 81' ' ' ILE . . . -172.58 175.14 45.74 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.166 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 14.5 pt-20 -68.18 -21.89 64.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.961 0.41 . . . . 0.0 110.256 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.83 -46.64 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.583 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.556 HG11 ' HB2' ' B' ' 67' ' ' LEU . 21.7 t -76.48 -35.66 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.633 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.9 83.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.777 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 45.9 mtt180 -65.42 -36.69 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.562 HD12 HG21 ' A' ' 96' ' ' VAL . 7.2 tt -59.32 -61.17 2.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.63 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.67 -36.34 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -62.22 -49.94 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.595 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.72 -44.16 93.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.393 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 89' ' ' LEU . 69.9 t -60.33 -40.66 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.025 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.1 -38.43 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 91' ' ' ALA . 98.6 t -57.06 -41.83 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.611 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.18 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.579 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 14' ' ' GLN . . . -67.42 -26.12 66.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.472 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.48 -61.51 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.932 -173.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 10.9 m170 . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.229 -178.43 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -71.18 -14.02 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.571 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.3 70.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.697 0.284 . . . . 0.0 110.761 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.07 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.482 . . . . 0.0 110.235 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 15' ' ' VAL . 87.8 mt -70.71 -35.97 73.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.769 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.59 -34.22 77.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.24 -38.24 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.06 -35.35 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.385 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 11' ' ' LEU . 61.5 t -64.39 -41.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB2' ' HA2' ' B' ' 25' ' ' GLY . . . -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.715 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.56 -51.63 68.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.22 -29.13 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.49 -35.68 87.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.08 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.7 mtpt -63.34 -40.26 96.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.447 . . . . 0.0 110.352 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.81 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.599 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' A' ' 67' ' ' LEU . 50.4 mt -88.85 26.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.789 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.53 2.96 6.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.673 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.908 ' HB2' ' HA ' ' B' ' 16' ' ' ALA . 16.1 m120 60.93 -154.21 0.37 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.098 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.45 -160.08 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.2 mtm-85 -69.23 -13.3 62.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 111.368 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -73.47 -10.52 59.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 110.538 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 24' ' ' ASN . 73.3 mt -73.2 -16.69 61.41 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.448 ' HB2' HG22 ' A' ' 48' ' ' THR . 76.7 mt-30 -60.14 -31.9 70.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 65.1 mt -68.46 -50.95 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.282 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.41 -39.35 90.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.253 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.49 -41.91 98.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 110.162 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 37.5 tp -69.14 -29.65 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.0 mt -89.42 -6.32 56.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.96 0.409 . . . . 0.0 110.983 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.54 -25.19 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.3 pt20 -84.08 -17.97 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 -161.92 34.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.764 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -96.5 133.76 40.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' HD21 ' A' ' 33' ' ' LEU . 23.0 tpp180 -135.24 141.22 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.071 -174.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -76.32 155.47 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.65 -46.21 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.868 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' HD11 ' A' ' 52' ' ' LEU . 2.8 mp0 -57.97 -41.48 83.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.868 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -40.47 77.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.428 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG12 HD23 ' A' ' 33' ' ' LEU . 84.1 mt -59.97 -50.81 78.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.767 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.35 90.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.078 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 m -65.89 -48.66 70.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.674 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 29' ' ' GLN . 21.3 p -84.77 -20.33 31.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.976 0.417 . . . . 0.0 111.246 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.19 53.71 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.222 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.7 mtm -118.16 176.33 5.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.627 0.251 . . . . 0.0 110.391 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -84.89 162.16 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.508 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.0 mm? -57.31 -53.33 59.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.346 0.403 . . . . 0.0 110.598 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -60.62 -35.22 75.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.262 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 m -69.07 -40.26 78.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.268 0.556 . . . . 0.0 110.437 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.95 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.197 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 m -58.72 -31.47 68.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.61 86.07 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.445 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.3 m-80 -72.77 -35.53 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 90.7 mt -62.96 -42.1 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.243 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.97 71.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.414 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 76.5 mt -60.73 -39.8 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -74.89 -35.21 62.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.236 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.3 p -67.59 -20.58 65.39 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.838 0.351 . . . . 0.0 110.386 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -15.52 62.26 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.6 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.37 17.27 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.446 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.689 ' HA ' HG21 ' A' ' 86' ' ' VAL . 22.3 mt -93.99 -48.04 6.43 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.432 -178.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.76 159.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 111.583 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' HB2' ' A' ' 82' ' ' ALA . 46.2 mt-10 -105.36 153.64 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.277 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.3 109.49 16.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.762 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -111.64 104.82 13.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 42.7 ttp85 -81.68 133.0 35.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 0.0 110.471 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -124.35 103.32 8.14 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.62 -104.31 1.43 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.579 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.6 m -106.66 -22.14 12.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -105.34 158.13 16.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.126 0.489 . . . . 0.0 111.326 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 23.1 mt-30 -112.73 133.3 54.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.617 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -98.7 130.98 45.21 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 44.9 m-85 -111.5 149.0 31.96 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.044 0.449 . . . . 0.0 110.234 176.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -157.88 146.98 19.55 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.317 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.88 126.64 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . . . -67.47 -77.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.106 0.479 . . . . 0.0 111.623 -172.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -101.42 158.01 18.83 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.322 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 9.2 pt-20 -70.07 -16.66 63.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -47.2 83.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 0.0 110.349 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 67' ' ' LEU . 62.5 t -66.07 -45.21 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.565 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.51 83.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.837 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 49.1 mtt180 -65.19 -41.16 94.82 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.521 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.43 -43.87 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.845 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.4 -48.29 81.12 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -68.92 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 tt -62.73 -51.63 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.75 -31.27 52.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.185 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.7 t -64.77 -41.73 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 92' ' ' LEU . 83.6 t -55.28 -51.53 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.6 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.22 72.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.93 -49.21 48.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.379 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.839 -176.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.29 83.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.321 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 15' ' ' VAL . 54.2 tp -72.58 -44.82 61.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.799 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.41 -35.06 76.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.13 -42.06 96.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.884 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 8.3 tp-100 -68.56 -40.91 80.42 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.207 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 11' ' ' LEU . 41.6 t -62.89 -35.17 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.708 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.908 ' HA ' ' HB2' ' A' ' 24' ' ' ASN . . . -61.0 -33.23 72.93 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' B' ' 17' ' ' ARG . 2.4 tpm_? -58.9 -52.69 64.66 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.391 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.48 -47.25 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.016 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.594 ' HA3' ' OD1' ' A' ' 24' ' ' ASN . . . -60.92 -47.33 91.81 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.245 -176.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' B' ' 20' ' ' LYS . 31.0 mtpt -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.994 0.397 . . . . 0.0 111.304 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.97 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.552 HD21 HD11 ' B' ' 67' ' ' LEU . 97.6 mt -75.59 -22.26 57.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.1 84.62 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.236 0.541 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.427 ' OD1' ' HB3' ' B' ' 27' ' ' ARG . 9.1 p30 -158.84 151.69 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.532 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.544 ' HA2' ' HB2' ' A' ' 16' ' ' ALA . . . -102.04 -80.19 1.46 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.432 -0.889 . . . . 0.0 113.173 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.6 -12.49 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.427 ' HB3' ' OD1' ' B' ' 24' ' ' ASN . 43.2 ttm180 -70.08 -18.1 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.104 0.478 . . . . 0.0 110.468 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.22 -12.82 61.07 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.515 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.33 -32.55 70.19 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.211 0.529 . . . . 0.0 109.845 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.75 -48.9 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.045 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.09 -33.1 73.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 10.1 t70 -61.79 -51.48 68.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.529 . . . . 0.0 110.013 174.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.52 -38.31 89.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.4 mm? -75.25 -24.13 57.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.981 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -21.89 61.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 54.5 mt-30 -88.55 -12.83 41.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.713 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.78 164.5 13.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.628 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.8 OUTLIER -81.04 139.07 35.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.511 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -142.72 157.95 44.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.477 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -79.49 158.87 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.9 -43.33 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.886 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 41.1 tt0 -61.07 -39.75 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.178 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.85 73.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.973 0.416 . . . . 0.0 110.668 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.55 -46.99 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.861 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.427 ' HB3' HD23 ' B' ' 52' ' ' LEU . . . -64.69 -47.56 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.598 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -63.17 -43.24 98.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.219 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.52 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.719 0.295 . . . . 0.0 111.588 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.5 p -86.53 -15.99 38.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.502 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.38 28.58 32.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.648 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.5 mtm -118.28 170.84 8.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.826 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.5 158.54 28.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 73.5 mt -63.57 -39.75 95.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.907 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.7 m -67.65 -34.81 77.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.974 0.416 . . . . 0.0 110.551 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -69.14 -44.36 72.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.063 0.459 . . . . 0.0 110.398 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -61.61 -49.53 76.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.262 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.3 p -62.0 -36.53 81.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.547 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.77 91.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.747 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -69.94 -36.51 75.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 97.1 mt -64.61 -39.38 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.408 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.75 -41.2 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.56 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.3 -34.21 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -69.7 -33.75 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.0 m -71.16 -22.53 62.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.461 . . . . 0.0 110.511 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.57 -10.55 70.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.311 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.91 18.23 54.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.708 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.552 HD11 HD21 ' B' ' 22' ' ' LEU . 3.7 mm? -83.92 -49.91 8.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.07 155.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 111.273 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -114.05 169.81 8.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.79 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.31 118.68 29.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.065 0.459 . . . . 0.0 111.44 -176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -104.8 157.13 17.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.734 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -131.02 118.1 20.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.766 0.317 . . . . 0.0 110.812 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.27 103.96 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.141 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.89 -109.21 2.73 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.325 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.8 m -107.23 0.64 23.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.611 0.719 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -101.83 144.47 30.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 22.7 mt-30 -116.0 108.91 16.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 173.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -94.31 124.58 38.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.632 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.86 148.65 24.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' B' ' 34' ' ' LEU . 42.0 ttt-85 -152.95 156.25 38.53 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 44.3 mm -55.47 132.19 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -47.68 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -146.67 167.16 28.18 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.468 -178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 37.8 tt0 -65.85 -33.96 77.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.04 -41.05 91.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.632 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' B' ' 67' ' ' LEU . 48.8 t -70.01 -39.66 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.136 0.493 . . . . 0.0 110.436 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.18 96.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 57.5 mtp180 -72.94 -24.13 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.512 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.03 -45.48 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.405 ' HA ' HG12 ' B' ' 93' ' ' VAL . 91.7 t80 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.181 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.41 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.56 -41.62 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.21 -46.86 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 90' ' ' PHE . 10.7 p -66.31 -28.21 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.67 -42.56 99.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.643 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 91' ' ' ALA . 89.4 t -62.04 -40.12 86.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' B' ' 100' ' ' HIS . 61.2 t -64.01 -28.14 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.174 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.59 -30.7 14.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.749 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.51 -70.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 111.442 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -67.13 -43.11 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.337 0.589 . . . . 0.0 110.959 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 96' ' ' VAL . 39.1 t-80 . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.893 -172.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 4.6 mmp_? . . . . . 0 N--CA 1.463 0.196 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.9 -33.93 59.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.882 0.372 . . . . 0.0 110.465 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.43 87.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.9 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.188 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 77.1 mt -67.72 -47.25 69.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 109.972 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 15' ' ' VAL . 90.2 mt -69.36 -31.49 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.807 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.67 -44.85 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -65.63 -44.09 87.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.509 HG12 HG22 ' B' ' 93' ' ' VAL . 30.3 m -67.42 -32.01 55.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.011 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -70.06 -39.07 75.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.83 -45.32 78.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 176.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 67' ' ' LEU . 60.7 t -62.42 -45.26 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.519 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.45 92.39 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.487 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 61.3 mtpt -62.01 -37.98 86.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.974 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.4 72.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.234 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.1 mt -85.56 -3.87 58.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.784 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.36 16.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.485 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.9 t-20 -142.21 118.46 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 29' ' ' GLN . . . -61.43 -33.6 85.28 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.607 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.87 -24.35 64.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.911 0.355 . . . . 0.0 111.135 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -81.82 -31.49 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.389 0.614 . . . . 0.0 109.392 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 79.4 mt -71.13 -28.85 64.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.728 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 76.6 mt-30 -59.39 -33.54 71.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.189 0.519 . . . . 0.0 109.932 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.9 mt -70.32 -43.77 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.38 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.1 -37.8 78.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.03 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.88 -49.72 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.249 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 85.8 mt -58.28 -39.92 80.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.88 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 57.7 mt -76.97 -13.61 59.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.237 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.8 49.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.99 -37.49 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.51 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 34' ' ' LEU . . . 173.64 -173.95 45.98 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 144.81 35.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.198 0.523 . . . . 0.0 110.615 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -137.7 131.75 31.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.501 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.28 159.34 33.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.736 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.7 t -48.57 -41.93 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.471 0.482 . . . . 0.0 111.217 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.77 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.234 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.39 94.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.43 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.447 HD13 HD21 ' A' ' 59' ' ' LEU . 82.8 mt -61.05 -47.53 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.251 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.14 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.139 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -61.77 -45.26 94.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.32 66.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.2 p -98.45 -14.76 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.116 0.484 . . . . 0.0 111.181 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 32.78 47.76 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.95 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.4 mtm -118.19 172.16 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -85.46 158.4 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -57.77 -41.59 82.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.402 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -70.31 -38.98 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.956 0.408 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.3 m -59.21 -48.53 81.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.149 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.95 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.544 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 37.2 t -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.622 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.23 77.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.077 0.465 . . . . 0.0 110.897 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.49 -42.85 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.686 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 44' ' ' ILE . 90.2 mt -64.63 -37.29 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.344 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 56' ' ' SER . 77.1 mt-30 -60.66 -44.51 96.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.681 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.68 81.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 0.0 110.255 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.67 -39.07 87.05 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.668 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -69.62 -42.81 73.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.649 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.8 p -68.62 -22.23 64.44 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 111.259 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.28 -16.49 78.71 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.412 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.18 18.88 58.45 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.068 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 18' ' ' VAL . 7.8 mp -89.83 -39.21 13.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.86 158.03 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.009 0.433 . . . . 0.0 111.69 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 38.1 mt-10 -116.19 158.27 23.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.033 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.94 109.45 20.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.598 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.789 ' HE ' ' HA ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -98.19 106.14 18.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.853 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -89.79 110.06 21.0 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.098 0.475 . . . . 0.0 110.052 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.45 107.61 15.77 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.09 -116.83 5.42 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -110.23 -2.05 17.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.165 0.507 . . . . 0.0 109.976 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -102.11 140.09 36.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.565 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -112.98 116.47 30.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.873 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.2 m-85 -100.76 131.16 46.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.001 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.26 146.4 27.58 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 0.0 110.339 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -153.17 162.96 40.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.599 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -59.92 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.23 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.323 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.51 166.5 28.67 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.908 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -54.42 -35.95 63.47 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.465 0.306 . . . . 0.0 111.093 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.575 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 33.9 t70 -63.87 -38.39 90.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 67' ' ' LEU . 44.2 t -67.51 -37.21 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.164 0.506 . . . . 0.0 109.73 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.39 86.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.096 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 62.0 mtp180 -56.05 -40.78 74.03 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.51 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.16 -51.23 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.498 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -66.04 -36.58 83.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.049 0.452 . . . . 0.0 110.763 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.47 -40.62 89.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 57.0 tp -64.46 -48.62 74.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -177.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.93 -32.0 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.485 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.24 -44.76 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.501 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 91' ' ' ALA . 92.9 t -61.96 -47.14 94.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.332 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.511 HG13 ' HB2' ' B' ' 85' ' ' ASP . 92.5 t -55.04 -45.78 76.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.081 176.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.88 53.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.898 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.29 -48.87 67.99 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 111.913 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 CA--C 1.533 0.31 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.781 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.112 0.482 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.07 72.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.241 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -61.25 -37.96 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.59 -38.82 77.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.06 0.457 . . . . 0.0 110.098 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.33 -29.7 68.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.14 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.48 -35.93 58.12 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.537 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 85.3 mm-40 -64.9 -44.59 89.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.929 0.395 . . . . 0.0 110.82 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.464 HG23 HD13 ' A' ' 28' ' ' LEU . 27.6 m -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.511 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -72.83 -37.96 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.218 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -57.72 -51.68 68.55 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.51 -33.12 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.68 98.54 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.909 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 94.5 mttt -59.31 -37.53 77.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.849 0.357 . . . . 0.0 110.64 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.46 -25.78 54.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.393 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.45 -28.38 31.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 78.11 2.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.712 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 22.9 t-20 -179.33 99.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.787 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . -61.62 -23.92 63.51 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 114.218 -172.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -71.34 -48.33 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.328 0.564 . . . . 0.0 111.864 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.43 ' HD3' ' OD1' ' B' ' 58' ' ' ASN . 5.3 ptt180 -82.67 -8.65 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.833 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 79.7 mt -66.27 -20.89 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.218 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.93 -29.34 69.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.345 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.7 mt -68.48 -44.46 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.257 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.13 -40.35 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.435 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.07 -36.42 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 53.6 tp -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.25 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.487 ' HB3' ' HA ' ' B' ' 80' ' ' ARG . 64.6 mt -82.91 -6.94 59.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.357 . . . . 0.0 111.394 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.01 -14.16 56.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.086 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 11.6 pt20 -105.87 4.02 29.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.985 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.13 167.83 15.13 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.352 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' B' ' 80' ' ' ARG . 8.9 pt-20 -79.73 120.06 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.185 0.517 . . . . 0.0 110.574 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 39' ' ' ARG . 23.6 mmt180 -115.8 145.25 42.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -77.73 158.87 29.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.99 -36.13 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 123.408 0.442 . . . . 0.0 111.508 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.463 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.1 mt-10 -60.47 -51.96 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.533 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.56 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.691 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.78 -51.67 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -57.92 -48.0 81.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.154 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.85 -47.27 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.6 66.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.997 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.433 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 32.5 p -98.38 -6.05 31.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.97 36.31 36.37 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.724 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.433 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 24.2 ptp -133.57 174.94 9.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.746 0.308 . . . . 0.0 110.698 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -90.21 158.09 17.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.317 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.463 HD21 ' HG2' ' B' ' 42' ' ' GLU . 10.0 mp -53.02 -43.71 66.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.616 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.3 m -65.36 -40.87 94.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.863 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 15.3 m -62.42 -44.87 95.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.267 0.556 . . . . 0.0 110.133 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -63.3 -48.81 76.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.729 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 26.0 t -55.59 -41.34 73.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.024 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.01 83.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.43 ' OD1' ' HD3' ' B' ' 27' ' ' ARG . 45.6 m-80 -67.77 -36.67 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 95.4 mt -62.92 -37.56 87.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.936 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.514 HE21 ' CA ' ' B' ' 60' ' ' GLN . 0.0 OUTLIER -69.11 -32.85 72.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.758 178.151 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.51 -40.93 76.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.709 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 0.0 110.587 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -72.73 -38.01 67.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.754 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -72.68 -28.23 62.57 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.1 -23.37 77.21 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.578 171.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.01 25.5 14.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.546 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.53 HD12 HG13 ' B' ' 86' ' ' VAL . 3.1 mm? -92.88 -49.2 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.546 -177.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.92 156.93 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.248 0.547 . . . . 0.0 112.214 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.419 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 38.5 mt-10 -113.83 163.97 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.13 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.77 130.51 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.999 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -125.05 112.51 16.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.715 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -92.1 120.28 32.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -131.63 125.59 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.0 0.428 . . . . 0.0 110.28 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.82 -101.12 1.27 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -131.34 -1.14 3.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -109.35 148.69 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 -175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -108.67 124.5 50.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.91 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 53.3 m-85 -99.51 126.1 45.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.039 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.424 ' CD1' HD13 ' B' ' 59' ' ' LEU . 53.7 m-85 -111.96 148.8 32.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.619 ' HB3' ' HA ' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -162.04 163.36 28.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.9 mm -56.4 129.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.561 0.538 . . . . 0.0 109.732 175.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.419 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -53.86 -71.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.664 0.603 . . . . 0.0 112.022 -175.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.46 -154.78 6.98 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.283 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.53 ' HG3' ' HD2' ' B' ' 88' ' ' ARG . 6.6 tp10 -59.98 -46.39 89.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.039 -0.58 . . . . 0.0 110.921 -175.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . 0.511 ' HB2' HG13 ' A' ' 96' ' ' VAL . 12.3 p-10 -56.3 -44.71 80.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.82 -176.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.53 HG13 HD12 ' B' ' 67' ' ' LEU . 54.3 t -69.36 -44.68 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.98 0.419 . . . . 0.0 111.178 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.97 92.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.13 -177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.53 ' HD2' ' HG3' ' B' ' 84' ' ' GLU . 55.9 mtp180 -64.52 -43.11 95.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.21 -55.97 17.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.526 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.07 -44.37 80.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.197 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 96' ' ' VAL . 49.6 tp -61.4 -46.58 89.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.118 -176.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.509 HG22 HG12 ' A' ' 15' ' ' VAL . 9.2 p -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.675 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -70.26 -37.38 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 91' ' ' ALA . 73.4 t -62.99 -46.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 177.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 93' ' ' VAL . 7.5 m -65.37 -25.66 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.696 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.18 -54.02 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.11 -48.07 77.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.934 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -69.71 -24.84 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.412 . . . . 0.0 110.962 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' B' ' 96' ' ' VAL . 19.6 m-70 . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.754 0.311 . . . . 0.0 111.171 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.481 0.181 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.68 -32.0 69.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.311 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.458 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.64 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.2 -45.26 63.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.226 0.536 . . . . 0.0 109.734 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HB3' HD12 ' B' ' 28' ' ' LEU . 87.4 mt -67.12 -30.73 70.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.447 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.38 -41.06 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.12 -41.53 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.442 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -58.94 -37.96 77.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.473 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -67.08 -41.77 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.311 -0.156 . . . . 0.0 111.342 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.86 -51.0 77.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.45 0.643 . . . . 0.0 110.023 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.31 77.67 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 51.3 tttm -67.91 -34.8 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.771 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.9 -34.86 64.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.551 ' HG ' HD21 ' A' ' 28' ' ' LEU . 8.9 tt -80.55 -17.49 51.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.75 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.11 98.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -175.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.728 ' HA ' ' HB1' ' B' ' 16' ' ' ALA . 27.2 t-20 65.99 104.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.529 172.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.71 149.04 6.11 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.127 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.17 -4.49 53.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG2' ' OD1' ' A' ' 58' ' ' ASN . 96.0 mtt180 -56.86 -21.27 28.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.141 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD21 ' HG ' ' A' ' 22' ' ' LEU . 88.1 mt -65.21 -13.76 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.349 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.13 -25.62 68.17 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.5 mm -64.43 -52.59 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.91 -36.94 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.406 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.77 -46.28 87.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.488 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 38.4 tp -69.3 -37.34 77.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.003 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.9 mt -76.8 -16.68 59.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 0.0 111.246 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -14.6 61.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.222 0.534 . . . . 0.0 110.157 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.479 ' OE1' HD12 ' A' ' 33' ' ' LEU . 81.0 mt-30 -86.89 -24.77 24.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.594 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.79 173.76 24.81 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.8 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.566 ' HG3' ' HB2' ' A' ' 80' ' ' ARG . 44.0 tt0 -71.46 128.51 36.08 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.508 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 37.9 mmt180 -119.58 148.77 42.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -175.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -82.22 156.72 24.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 77' ' ' GLN . 66.5 t -53.51 -46.05 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.729 0.3 . . . . 0.0 111.501 -177.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.64 -43.58 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.178 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.59 98.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.572 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.4 mt -60.01 -48.85 86.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.456 177.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.85 42.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.9 m -59.56 -47.82 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.14 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.6 p -85.33 -16.89 38.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.86 0.362 . . . . 0.0 111.299 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.8 16.79 53.99 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.7 mtm -109.89 178.55 4.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.68 0.276 . . . . 0.0 110.376 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -105.27 169.5 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.83 -45.95 88.82 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -62.06 -48.37 80.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 0.0 111.569 -176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.4 m -66.42 -39.96 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.561 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -60.75 -50.19 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.684 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -60.07 -36.73 78.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.054 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.79 76.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' OD1' ' HG2' ' A' ' 27' ' ' ARG . 40.3 m-80 -68.83 -36.7 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 97.6 mt -59.22 -46.51 88.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.57 -44.0 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.55 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.273 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.61 -28.38 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.62 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 56.6 tttm -72.14 -35.8 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.364 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 m -65.68 -32.92 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.26 -24.48 76.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.938 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.25 21.52 17.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.607 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.23 -42.13 14.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.431 . . . . 0.0 111.177 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -123.37 158.12 28.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 112.16 -174.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -119.9 171.4 8.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.617 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.79 131.84 29.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.907 0.384 . . . . 0.0 111.876 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -127.56 124.1 37.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 4.3 ptm180 -98.72 138.65 35.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.555 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.84 103.45 6.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.086 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.74 -105.98 1.8 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.081 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -107.97 -16.45 14.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.201 0.524 . . . . 0.0 110.096 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -94.15 158.38 15.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.702 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 64.2 tt0 -132.9 123.82 26.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.396 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 55.8 m-85 -100.15 135.12 42.07 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -109.3 137.4 47.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HB2' ' HG3' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -145.72 146.62 31.32 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -174.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.559 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 52.5 mt -54.16 131.61 16.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -41.18 -47.39 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.12 177.64 37.4 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.36 -33.8 75.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.61 -46.86 77.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.109 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 82' ' ' ALA . 25.0 t -79.25 -32.74 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.5 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HA ' HG21 ' A' ' 81' ' ' ILE . . . -63.66 -46.14 86.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.038 0.447 . . . . 0.0 110.195 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 88' ' ' ARG . 52.5 mtt180 -70.95 -22.78 62.17 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.019 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.09 -48.18 77.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.75 -38.43 86.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.33 -46.44 80.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.0 tt -60.27 -47.87 84.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.967 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.48 -31.28 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.503 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 92.3 t -66.05 -42.47 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.232 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 92' ' ' LEU . 73.3 t -52.91 -37.56 26.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.19 -73.3 0.4 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.238 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.96 -47.66 82.26 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -169.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 10.7 tp10 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.238 -174.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.78 0.324 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.82 -35.37 80.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.77 71.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.952 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.65 -43.84 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.92 -37.54 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.41 -45.77 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.312 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.4 -44.36 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.115 -177.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -67.41 -30.31 48.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.068 0.461 . . . . 0.0 110.246 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.728 ' HB1' ' HA ' ' A' ' 24' ' ' ASN . . . -70.55 -32.56 70.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.127 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.28 -43.3 78.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.137 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.89 -46.82 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.023 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.82 -31.6 80.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.637 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.52 -45.44 92.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.72 0.295 . . . . 0.0 110.757 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.33 -18.88 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.31 -32.51 29.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.617 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.25 84.37 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.667 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 19.1 t-20 -173.08 112.73 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.27 172.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.96 95.53 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.853 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -62.58 -38.45 90.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.458 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' B' ' 24' ' ' ASN . 40.9 ttm180 -78.1 -26.52 48.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.675 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 90.3 mt -62.01 -23.93 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -62.1 -32.38 72.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.056 0.455 . . . . 0.0 110.441 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.45 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.8 mt -67.03 -44.81 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.258 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.72 -36.02 82.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.896 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.73 -43.14 94.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.107 0.479 . . . . 0.0 110.211 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.76 -35.07 76.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 73.4 mt -83.55 -8.46 59.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 0.0 111.597 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -7.86 53.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.685 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -114.33 5.39 15.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.95 -162.0 27.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.26 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.7 OUTLIER -96.79 137.15 36.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.768 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -136.21 144.44 44.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.0 149.23 46.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.87 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 77' ' ' GLN . 60.6 t -56.49 -39.21 60.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.309 0.38 . . . . 0.0 110.654 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 2.9 tm-20 -56.53 -47.82 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.472 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -38.76 81.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 40' ' ' ALA . 86.7 mt -61.14 -49.47 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.7 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.313 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.19 -22.06 63.93 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.7 p -96.97 -13.33 22.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.774 0.321 . . . . 0.0 111.228 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.94 39.28 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.044 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 68.7 mtm -118.7 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.0 110.479 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -98.55 160.33 14.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.561 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 92.7 mt -55.93 -45.33 78.78 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.23 0.331 . . . . 0.0 111.304 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -67.14 -35.9 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -65.77 -45.15 83.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 110.767 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.29 84.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.583 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -60.5 -38.42 84.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.65 85.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.935 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -68.34 -33.24 73.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' B' ' 79' ' ' TYR . 81.1 mt -66.22 -34.65 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.97 -36.22 82.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.147 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.16 93.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -36.08 82.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.927 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -65.57 -40.64 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.225 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -66.62 -30.9 71.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.439 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.91 -29.74 70.67 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.32 20.21 52.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.023 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.714 ' HB2' HG11 ' B' ' 86' ' ' VAL . 1.4 pt? -105.23 -1.78 24.92 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.81 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.53 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.975 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.469 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 42.1 mt-10 -119.19 151.09 38.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.52 137.28 46.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 11.2 mmm180 -124.4 127.3 47.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.82 109.29 20.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 104.04 11.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.29 -104.96 1.52 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 t -121.97 5.21 9.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.51 0.672 . . . . 0.0 109.547 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -95.01 145.14 25.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.166 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.44 ' O ' HG23 ' B' ' 41' ' ' VAL . 26.5 tt0 -112.0 117.83 33.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 30.2 m-85 -104.22 153.35 21.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.427 ' CD1' HD13 ' B' ' 59' ' ' LEU . 11.9 m-85 -128.26 157.85 39.78 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.306 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -158.9 172.07 18.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.458 HG22 ' H ' ' B' ' 83' ' ' GLY . 45.6 mm -76.45 134.38 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.469 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -69.0 -24.61 64.24 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . 0.458 ' H ' HG22 ' B' ' 81' ' ' ILE . . . -158.84 151.59 22.58 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.0 OUTLIER -61.14 -34.16 74.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.081 0.467 . . . . 0.0 110.308 178.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . 0.548 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 5.3 t0 -63.27 -32.7 74.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.566 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.714 HG11 ' HB2' ' B' ' 67' ' ' LEU . 57.5 t -69.5 -40.7 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.98 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.41 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 89.5 mtt180 -63.27 -45.25 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.578 176.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.43 ' HB2' HD22 ' A' ' 92' ' ' LEU . 44.1 tp -58.69 -50.48 73.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.22 -46.56 85.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.908 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.505 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.8 -44.95 88.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.4 tt -60.02 -53.31 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.816 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.33 -31.15 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.038 0.447 . . . . 0.0 110.991 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -67.16 -41.56 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.119 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 91' ' ' ALA . 75.0 t -61.69 -47.5 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 175.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 92' ' ' LEU . 93.9 t -52.06 -45.94 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.815 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.4 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.63 -35.61 74.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 111.517 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.7 -53.69 31.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.234 0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.485 -175.257 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 47.4 mtt180 . . . . . 0 C--O 1.223 -0.292 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -60.1 -54.8 41.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.4 92.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.62 64.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HA ' HE21 ' A' ' 14' ' ' GLN . 4.5 tt -72.2 -50.37 28.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' B' ' 28' ' ' LEU . 78.2 mt -64.79 -33.86 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.435 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.46 -53.47 57.75 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.578 HE21 ' HA ' ' A' ' 11' ' ' LEU . 28.6 pt20 -75.49 -35.7 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.797 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 12' ' ' LEU . 35.2 m -70.55 -31.34 46.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.452 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -68.13 -35.71 78.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -63.83 -39.52 94.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.521 176.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 14' ' ' GLN . 63.5 t -61.46 -43.81 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.2 -22.0 70.52 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.885 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.1 mtpt -71.99 -46.92 55.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.923 0.392 . . . . 0.0 110.286 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.41 69.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 110.049 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 18.6 tp -91.7 24.4 3.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.306 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HB3' HH21 ' A' ' 27' ' ' ARG . . . -78.57 15.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 110.323 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.678 ' CG ' ' HA ' ' B' ' 16' ' ' ALA . 27.4 m-80 70.88 -170.83 0.16 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.304 169.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.61 -157.3 15.03 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 26' ' ' ARG . 5.2 ptp180 -64.7 -22.74 67.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.967 0.413 . . . . 0.0 110.964 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.534 HH21 ' HB3' ' A' ' 23' ' ' ALA . 16.9 ptt180 -72.83 -10.21 59.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.46 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.62 HD11 ' OD1' ' A' ' 24' ' ' ASN . 30.3 mt -73.12 -30.07 63.35 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.307 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.58 -26.54 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.857 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.99 -49.79 41.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.952 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.64 -40.78 93.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.905 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.83 -40.43 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.807 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 tp -70.62 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.489 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.86 -31.25 70.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.64 -21.3 66.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.5 . . . . 0.0 110.595 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -95.96 -0.48 50.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.706 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.67 137.76 3.37 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.264 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.19 141.4 45.49 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -154.75 172.43 17.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 -171.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -76.37 163.21 27.21 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.317 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -59.67 -40.98 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.405 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 mp0 -57.45 -45.47 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.786 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.75 95.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.313 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.24 -48.47 88.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.002 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.8 87.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.326 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -67.49 -50.88 56.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.89 72.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -84.3 -25.46 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.485 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.67 16.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.952 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -125.32 175.74 7.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.133 0.492 . . . . 0.0 111.278 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -75.93 154.06 36.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.606 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 73.1 mt -54.95 -50.57 68.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -64.93 -32.45 74.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.686 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.5 m -65.69 -47.05 76.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.238 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.67 98.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.593 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 39.4 m -59.94 -42.17 93.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -64.48 -37.43 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.051 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 56' ' ' SER . 31.8 mm-40 -63.39 -42.62 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.367 . . . . 0.0 110.093 177.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.44 86.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.246 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.611 ' HB3' HG22 ' A' ' 68' ' ' VAL . 6.0 mp -56.09 -43.94 78.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -70.56 -36.26 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -25.94 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.29 -15.67 68.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.524 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.73 49.92 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.687 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.38 -38.8 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.297 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 62' ' ' LEU . 22.2 m -134.04 162.64 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 111.598 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -124.76 166.09 16.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.49 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.03 150.03 48.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 111.702 -173.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 71' ' ' ARG . 63.6 mtm-85 -129.84 115.4 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.513 174.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -79.09 96.76 5.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 172.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.32 88.09 2.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.509 0.671 . . . . 0.0 110.382 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.62 -121.98 10.17 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.135 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -91.84 -5.73 52.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.618 0.247 . . . . 0.0 111.167 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.28 147.9 47.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.103 0.477 . . . . 0.0 110.842 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -114.94 124.36 51.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.653 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.1 m-85 -99.27 140.32 33.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.188 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -120.13 137.6 54.06 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.961 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -133.51 159.44 40.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.726 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 83' ' ' GLY . 54.9 mt -65.43 142.55 16.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -55.87 -24.45 37.09 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -176.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 81' ' ' ILE . . . 170.0 -172.3 43.77 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.201 176.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -70.82 -24.25 62.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.073 0.464 . . . . 0.0 110.091 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -65.34 -50.25 66.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.462 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.486 HG21 ' HB3' ' A' ' 82' ' ' ALA . 59.5 t -70.75 -37.6 69.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.659 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.38 86.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 111.02 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -78.03 -14.21 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.941 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.32 -47.23 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.35 -35.68 80.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.126 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.63 -37.68 85.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.9 tt -61.32 -52.59 64.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.08 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.416 HG22 HG12 ' B' ' 15' ' ' VAL . 7.1 p -67.35 -25.02 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.596 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.85 -42.6 85.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.028 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' ALA . 84.3 t -64.44 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.894 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 92' ' ' LEU . 98.9 t -53.63 -39.75 39.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.408 176.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.831 ' HA ' HE21 ' B' ' 14' ' ' GLN . . . -73.81 -60.56 2.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.98 -46.67 75.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -172.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.669 0.271 . . . . 0.0 110.797 -176.409 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt . . . . . 0 C--O 1.232 0.137 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.89 93.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.553 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.64 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.832 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.92 -46.2 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.503 ' HA ' HG22 ' B' ' 15' ' ' VAL . 72.0 mt -70.61 -21.73 62.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.997 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.3 t70 -81.05 -38.51 27.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.55 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.831 HE21 ' HA ' ' A' ' 97' ' ' ALA . 28.8 tt0 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.503 HG22 ' HA ' ' B' ' 12' ' ' LEU . 34.0 m -66.44 -25.6 35.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.145 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.678 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -57.6 -47.08 83.15 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.313 175.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -60.67 -44.36 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.22 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.13 -56.41 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.698 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.529 ' HA3' HD21 ' A' ' 24' ' ' ASN . . . -62.35 -43.61 98.83 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.409 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -64.68 -26.66 68.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.889 0.376 . . . . 0.0 110.699 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.99 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.54 0.209 . . . . 0.0 110.442 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.452 HD23 HD21 ' B' ' 67' ' ' LEU . 99.1 mt -68.46 -34.29 75.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.61 50.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.629 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' B' ' 27' ' ' ARG . 10.9 p30 -97.83 -32.47 11.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.983 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.77 -99.88 2.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.709 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.38 -10.87 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -172.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.513 ' HB2' ' OD1' ' B' ' 24' ' ' ASN . 91.7 mtt180 -81.59 -10.9 59.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.303 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 12' ' ' LEU . 94.6 mt -67.65 -18.57 65.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.278 177.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -62.9 -29.12 70.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.144 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.52 -48.86 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.904 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.725 HD11 HD23 ' B' ' 67' ' ' LEU . 90.0 mt -61.32 -37.48 83.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.6 -48.07 83.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.623 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.06 -42.14 89.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.626 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.3 mm? -66.61 -30.34 70.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.776 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.07 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 110.501 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -97.68 -19.33 18.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.723 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.88 153.82 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.625 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -78.47 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.72 0.295 . . . . 0.0 110.338 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.625 ' HD2' ' O ' ' B' ' 38' ' ' GLU . 2.4 mpt_? -138.62 163.69 31.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.368 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.48 164.81 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -46.59 -45.67 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.526 ' HG2' HD21 ' B' ' 52' ' ' LEU . 47.3 mt-10 -59.46 -51.9 67.91 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.57 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.213 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.517 HG21 HD21 ' B' ' 59' ' ' LEU . 74.3 mt -60.64 -47.39 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.497 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.52 94.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.249 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.9 m -64.97 -48.8 72.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.216 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.02 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.74 -10.79 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 35.85 21.8 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.784 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.414 ' HB2' ' HB ' ' B' ' 54' ' ' THR . 24.1 ptp -130.78 -178.47 4.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -100.86 164.67 11.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.526 HD21 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -55.78 -41.06 73.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.259 . . . . 0.0 110.912 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.3 p -61.25 -46.49 90.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.34 0.59 . . . . 0.0 110.744 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 2.9 m -62.19 -49.03 77.4 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.405 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.205 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.5 t -53.97 -48.24 70.53 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.33 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.341 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -65.82 -44.23 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.517 HD21 HG21 ' B' ' 44' ' ' ILE . 82.5 mt -59.6 -49.07 79.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.531 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.33 -26.64 67.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 111.059 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -60.01 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.495 ' HG ' HG22 ' B' ' 68' ' ' VAL . 2.2 pt? -76.84 -12.3 59.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.221 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -68.52 -37.72 80.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.9 m -71.12 -30.65 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.242 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.58 -15.66 68.77 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.985 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.71 17.09 50.04 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.535 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.725 HD23 HD11 ' B' ' 31' ' ' LEU . 7.2 mp -86.97 -48.01 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.81 0.338 . . . . 0.0 111.328 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.495 HG22 ' HG ' ' B' ' 62' ' ' LEU . 31.0 m -116.84 159.74 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.224 0.535 . . . . 0.0 111.42 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.6 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -128.13 155.43 44.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.65 139.89 52.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.919 0.39 . . . . 0.0 111.801 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.532 ' HD3' ' NH1' ' B' ' 80' ' ' ARG . 28.7 mtp85 -136.13 130.98 34.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.06 174.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -86.23 105.66 16.77 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' B' ' 78' ' ' TYR . 51.9 mt-10 -120.23 128.82 53.71 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.39 -108.34 2.49 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -126.94 8.15 6.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.101 0.477 . . . . 0.0 111.07 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -132.21 156.37 46.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 111.303 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -97.01 120.3 37.1 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.471 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' B' ' 73' ' ' GLU . 72.2 m-85 -95.42 141.07 29.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.319 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.44 ' O ' HD11 ' B' ' 34' ' ' LEU . 27.7 m-85 -114.28 136.45 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.001 174.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.532 ' NH1' ' HD3' ' B' ' 71' ' ' ARG . 9.1 ptp85 -143.07 177.01 8.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.211 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' B' ' 87' ' ' ALA . 48.5 mm -67.78 135.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.6 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -58.23 -48.85 79.09 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.27 168.16 32.5 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.486 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -36.15 81.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.157 0.503 . . . . 0.0 110.76 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 67' ' ' LEU . 42.4 t -65.82 -40.28 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.424 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' B' ' 81' ' ' ILE . . . -62.54 -44.72 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -70.17 -22.78 62.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.458 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.467 HD23 HD22 ' A' ' 92' ' ' LEU . 3.1 tm? -68.18 -49.84 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -65.07 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.289 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.426 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.93 -43.58 82.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.442 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -47.26 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.096 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.525 ' HA ' HG12 ' B' ' 96' ' ' VAL . 22.5 m -65.77 -28.93 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.51 -48.82 59.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.15 0.5 . . . . 0.0 109.987 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.7 t -63.5 -48.25 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.392 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' B' ' 93' ' ' VAL . 12.5 p -62.11 -37.28 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.35 -52.27 59.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 110.492 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.42 -35.16 79.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.043 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.09 -46.61 83.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.318 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 . . . . . 0 C--N 1.332 -0.162 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -178.583 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 7' ' ' ARG . 24.1 ttt180 . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.838 0.351 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.17 -30.76 71.85 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.616 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.05 70.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -34.65 76.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.167 0.508 . . . . 0.0 110.119 177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.66 -43.0 81.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.629 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.3 mt -63.71 -27.36 69.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.802 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.84 -51.02 62.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.141 0.496 . . . . 0.0 110.91 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.26 -31.11 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.964 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.629 HG22 ' HA ' ' A' ' 12' ' ' LEU . 29.9 m -71.43 -28.14 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.912 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.8 -35.7 80.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.052 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.86 -43.26 94.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.179 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -59.53 -44.5 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.878 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.73 -37.15 93.79 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.333 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 66.1 mttm -63.38 -30.29 71.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.626 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.77 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' B' ' 16' ' ' ALA . 70.3 mt -97.27 13.26 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.95 -6.49 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.64 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.3 p30 -136.87 138.86 41.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -83.82 -22.8 54.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.793 -172.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -74.71 -23.62 58.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.396 0.598 . . . . 0.0 112.38 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -85.39 -22.41 28.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.069 0.461 . . . . 0.0 109.995 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 80.5 mt -68.87 -20.81 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.037 176.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -56.3 -35.19 67.25 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.226 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.87 -42.37 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.413 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.72 -44.3 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.31 -34.98 77.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.407 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 tt -76.28 -39.2 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.813 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.12 -5.35 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.355 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.31 -11.35 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.022 0.439 . . . . 0.0 110.696 173.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -81.58 -21.25 38.54 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.32 -119.69 1.55 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.192 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.627 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -115.37 144.17 44.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.119 0.485 . . . . 0.0 111.653 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -145.75 148.31 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.755 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.75 154.33 30.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.568 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.75 -36.31 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.51 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.34 -49.67 75.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.154 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.69 -46.33 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.34 -47.93 80.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.93 87.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.044 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 m -62.71 -42.54 99.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.421 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.64 66.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.951 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 p -97.22 -3.06 41.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.824 0.345 . . . . 0.0 111.482 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.35 62.64 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.551 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -124.27 176.31 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -91.92 163.94 13.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.51 HD21 ' HG2' ' A' ' 42' ' ' GLU . 11.1 mp -61.54 -39.2 90.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.813 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -62.61 -46.61 87.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.3 m -61.17 -47.41 86.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.567 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.71 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.164 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.72 -35.96 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.968 -177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.81 87.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.124 0.488 . . . . 0.0 110.551 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -66.44 -41.39 89.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.325 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 79' ' ' TYR . 85.6 mt -63.49 -35.95 82.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.035 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.22 -38.93 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.44 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.78 -32.99 74.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -68.53 -41.78 79.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.41 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 t -68.6 -32.6 72.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.74 -16.96 79.09 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.267 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.13 28.03 19.07 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.254 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HA ' HG11 ' A' ' 86' ' ' VAL . 3.2 mm? -92.38 -53.26 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.494 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 81' ' ' ILE . 34.8 m -126.55 158.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 112.029 -174.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.95 172.9 6.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.408 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.6 132.85 44.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.045 0.45 . . . . 0.0 111.53 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -122.8 128.56 50.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.101 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -88.56 101.71 14.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.103 0.478 . . . . 0.0 110.071 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 1.1 tm-20 -107.15 113.86 27.55 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.02 -103.69 1.35 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.617 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -118.29 -16.8 9.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.088 0.471 . . . . 0.0 110.824 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -104.99 153.57 21.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.57 0.7 . . . . 0.0 112.033 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.4 117.54 31.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.203 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 74.6 m-85 -95.92 133.63 39.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.019 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.503 ' CD1' HD13 ' A' ' 59' ' ' LEU . 23.5 m-85 -108.57 139.74 42.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.28 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.627 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 48.6 ttp180 -147.97 145.82 28.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.422 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 83' ' ' GLY . 52.8 mt -61.73 129.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 -9.86 58.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -169.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -170.31 149.63 13.16 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.839 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.58 -29.94 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.877 0.338 . . . . 0.0 110.145 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.09 -43.86 67.13 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 173.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.489 HG11 ' HA ' ' A' ' 67' ' ' LEU . 60.8 t -65.25 -44.19 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.485 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.01 96.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.1 mtp180 -64.71 -34.97 79.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.002 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.79 -46.71 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.44 -38.84 85.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.85 -42.16 81.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.46 -52.73 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.506 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.12 -33.01 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.045 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.79 -43.24 80.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.853 0.359 . . . . 0.0 110.474 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 91' ' ' ALA . 99.0 t -68.49 -48.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.366 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.6 t -59.24 -39.04 77.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.1 77.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.658 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.36 66.4 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.792 -175.04 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.003 0.43 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.671 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -30.85 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.555 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.46 -36.14 78.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.055 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.23 -30.77 69.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.612 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -77.74 -32.21 52.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.155 0.503 . . . . 0.0 110.025 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -63.99 -47.94 78.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.52 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.24 -25.87 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.434 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -65.81 -33.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -68.19 -36.85 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.976 0.417 . . . . 0.0 110.155 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 54.1 t -64.83 -49.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.036 175.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.52 -37.9 94.93 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.183 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -59.43 -38.19 80.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.057 0.456 . . . . 0.0 110.589 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.482 ' HB1' ' NH2' ' B' ' 27' ' ' ARG . . . -71.78 -27.86 63.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.566 ' HA ' HD21 ' B' ' 28' ' ' LEU . 79.0 mt -83.95 -17.44 40.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.76 -3.44 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -174.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.447 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 26.9 t-20 -87.06 -38.73 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 110.859 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 16' ' ' ALA . . . 81.94 -59.57 4.86 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.551 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.27 -42.93 99.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.84 0.352 . . . . 0.0 111.407 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.762 HH21 HD23 ' B' ' 62' ' ' LEU . 12.0 ptm180 -68.59 -11.16 59.64 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.881 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.566 HD21 ' HA ' ' B' ' 22' ' ' LEU . 55.7 mt -78.58 -16.36 57.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 -177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.53 -32.92 72.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.442 HG22 HD23 ' B' ' 34' ' ' LEU . 57.3 mt -66.26 -34.15 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.35 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.72 -37.18 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.293 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.67 -35.57 80.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.298 0.571 . . . . 0.0 110.471 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.465 ' HA ' ' NE2' ' B' ' 36' ' ' GLN . 51.0 tp -75.82 -29.06 58.53 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.719 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.5 mm? -82.4 -17.15 46.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.572 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.5 -0.51 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.424 0.63 . . . . 0.0 110.094 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' B' ' 33' ' ' LEU . 51.8 mt-30 -104.69 -1.53 26.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.222 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.78 -178.43 17.24 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.6 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.14 135.73 46.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -125.38 138.38 54.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.421 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -81.51 155.83 25.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.714 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 77' ' ' GLN . 72.5 t -52.8 -55.13 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 O-C-N 123.331 0.394 . . . . 0.0 111.851 -178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -63.31 -35.91 81.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.312 . . . . 0.0 110.809 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.42 83.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.447 HD13 HD21 ' B' ' 59' ' ' LEU . 87.6 mt -60.6 -46.26 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -54.09 44.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.158 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 m -66.34 -40.92 90.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.26 -28.17 67.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.479 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 31.9 p -100.37 -6.33 25.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.016 0.436 . . . . 0.0 111.158 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.31 35.87 56.16 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.425 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.479 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 23.4 ptp -122.18 169.6 10.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -86.9 162.12 17.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.34 -44.57 80.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.033 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.1 m -58.34 -40.83 83.23 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.1 m -67.44 -52.15 43.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.718 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.45 98.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.266 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -60.7 -42.05 96.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.839 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.78 85.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 110.768 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.2 m-20 -64.35 -43.08 95.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.447 HD21 HD13 ' B' ' 44' ' ' ILE . 95.9 mt -64.17 -42.05 96.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.423 . . . . 0.0 110.204 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.39 87.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.886 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.762 HD23 HH21 ' B' ' 27' ' ' ARG . 97.2 mt -64.06 -38.99 93.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.004 0.431 . . . . 0.0 110.74 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.31 -35.31 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -72.6 -29.89 63.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.34 -20.35 79.87 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.657 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.64 29.27 9.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.984 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.36 -35.19 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.834 0.317 . . . . 0.0 111.798 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 m -130.04 156.84 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 0.0 112.342 -173.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -119.44 176.98 5.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.332 173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.97 148.89 31.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.438 0.637 . . . . 0.0 112.654 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.603 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 13.8 mmm180 -124.23 96.25 4.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.965 173.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -86.86 133.37 33.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.443 ' HB3' ' HE1' ' B' ' 78' ' ' TYR . 37.9 tt0 -133.3 96.74 3.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.077 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.94 -116.46 9.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.751 -174.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.1 p -95.34 3.63 54.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 110.414 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.74 143.79 26.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.278 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.429 ' O ' HG23 ' B' ' 41' ' ' VAL . 53.4 mt-30 -124.61 103.85 8.37 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.052 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.576 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 23.1 m-85 -90.42 157.28 17.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' B' ' 59' ' ' LEU . 37.4 m-85 -121.82 162.17 21.4 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 174.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.603 ' HD2' ' HG2' ' B' ' 71' ' ' ARG . 15.8 ptm180 -153.88 155.62 36.05 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.42 134.26 29.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.71 -41.78 64.23 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -173.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.69 167.96 33.73 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.243 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.6 -40.82 96.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.79 -27.66 64.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.117 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.41 -37.13 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.286 0.565 . . . . 0.0 109.556 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.75 77.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.199 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 88' ' ' ARG . 45.2 mtp180 -59.84 -36.43 76.8 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.506 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 93' ' ' VAL . 8.1 tt -59.44 -56.52 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.914 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.422 ' HE1' ' HB3' ' B' ' 28' ' ' LEU . 90.4 t80 -58.66 -40.43 83.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.488 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -59.63 -52.08 67.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 89' ' ' LEU . 77.1 t -57.56 -53.64 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.293 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -75.46 -22.31 57.38 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.734 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 91' ' ' ALA . 35.7 t -68.68 -46.22 80.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.409 0.147 . . . . 0.0 110.948 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.27 -25.8 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.505 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.0 -66.87 0.74 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.4 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.51 -43.31 90.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.76 -24.06 62.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 . . . . . 0 C--O 1.236 0.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.73 178.628 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.788 0.328 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HA ' HD23 ' A' ' 11' ' ' LEU . 62.6 tttm -74.77 -25.17 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.368 0.604 . . . . 0.0 109.654 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.24 -16.11 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.46 63.62 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.024 0.44 . . . . 0.0 110.369 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 8' ' ' LYS . 2.3 mm? -77.42 -33.11 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.499 ' HA ' HG22 ' A' ' 15' ' ' VAL . 89.4 mt -70.64 -34.47 72.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.879 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.03 -37.47 87.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.858 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -67.4 -49.16 65.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.966 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' LEU . 27.5 m -68.28 -24.94 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.678 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -35.47 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 17' ' ' ARG . 15.4 ttp180 -64.93 -40.69 95.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.024 0.44 . . . . 0.0 109.954 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.32 -48.29 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.347 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.95 -35.58 92.26 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.273 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.79 -39.62 85.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.727 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.009 0.433 . . . . 0.0 110.816 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.499 ' HA ' HD21 ' A' ' 28' ' ' LEU . 96.8 mt -69.18 -34.46 74.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.7 16.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.458 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -83.72 -28.76 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.81 -83.67 1.58 Allowed Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.018 -0.611 . . . . 0.0 113.63 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -68.43 -20.13 64.63 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -170.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 60.7 mtt85 -83.32 -8.67 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.749 0.309 . . . . 0.0 111.639 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 22' ' ' LEU . 93.9 mt -70.17 -15.98 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.458 178.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -59.05 -35.37 73.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.381 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.2 -45.12 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.557 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.21 -38.18 85.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.108 0.48 . . . . 0.0 110.5 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.85 -34.14 76.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 54.0 tp -79.93 -23.94 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.463 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 79' ' ' TYR . 3.4 mm? -82.92 -11.75 57.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -25.39 66.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.746 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.8 pt20 -93.2 -2.88 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.13 -175.43 20.65 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.197 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -71.83 140.97 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 137.78 51.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.059 -174.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.53 152.91 40.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 77' ' ' GLN . 61.0 t -56.24 -44.12 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 1.3 mp0 -61.07 -41.82 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.323 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.16 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.778 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.516 HD13 HD21 ' A' ' 59' ' ' LEU . 79.2 mt -59.67 -48.57 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 177.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.07 67.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.822 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.0 m -57.61 -47.41 82.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.38 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.72 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.3 p -86.68 -5.22 59.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.689 0.28 . . . . 0.0 111.626 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 29.35 57.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.324 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.545 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 61.4 mtt -108.45 164.48 12.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -81.15 161.81 23.91 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -59.49 -38.85 81.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.756 0.313 . . . . 0.0 110.444 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -60.46 -45.24 94.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.578 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 1.0 OUTLIER -62.87 -53.83 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.713 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.2 -41.85 89.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.483 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 29.3 t -59.28 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.804 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 110.866 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.45 -38.86 74.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.547 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 44' ' ' ILE . 97.3 mt -66.24 -39.76 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.734 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 56' ' ' SER . 96.3 mt-30 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.473 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.48 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.4 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.89 -33.55 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.446 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.2 -35.38 68.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.02 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 t -70.37 -18.84 63.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.368 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.51 -24.73 41.81 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.628 171.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.26 11.29 42.62 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.713 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.37 -37.51 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.83 160.81 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 112.187 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.562 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 50.0 mt-10 -122.27 167.29 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.859 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.73 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.763 0.316 . . . . 0.0 111.321 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -142.98 135.44 27.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.406 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -92.71 141.9 27.95 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.018 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -140.07 132.53 28.55 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.91 -111.41 4.14 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -118.17 -5.14 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.891 0.377 . . . . 0.0 110.373 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.406 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 77.9 mtt-85 -94.56 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.973 -173.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' VAL . 50.2 tt0 -101.96 111.61 23.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.525 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.1 m-85 -97.61 141.34 30.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.427 ' CD1' HD13 ' A' ' 59' ' ' LEU . 21.6 m-85 -110.52 143.49 40.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.561 173.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 4.5 ptp180 -141.35 160.4 40.21 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.122 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.76 138.98 22.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.71 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -51.83 -43.22 63.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.5 173.73 41.23 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.468 -0.873 . . . . 0.0 111.821 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.441 ' HG3' ' CD ' ' A' ' 88' ' ' ARG . 6.6 tp10 -62.28 -39.08 91.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.013 0.435 . . . . 0.0 109.883 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.3 -36.25 75.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.71 HG21 ' HB3' ' A' ' 82' ' ' ALA . 46.5 t -73.53 -38.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.237 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.39 89.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.23 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.441 ' CD ' ' HG3' ' A' ' 84' ' ' GLU . 36.2 mtp180 -68.23 -27.34 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.193 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.39 -51.24 66.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.16 -38.16 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.34 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.46 -47.56 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.193 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.55 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.402 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.46 ' HB ' HD11 ' B' ' 89' ' ' LEU . 14.9 p -64.51 -32.23 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.731 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.498 ' HG3' HD21 ' B' ' 11' ' ' LEU . 9.8 tt0 -68.76 -41.78 78.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.225 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 89.4 t -61.76 -52.15 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.901 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.82 -43.34 67.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 121.032 0.444 . . . . 0.0 110.596 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.53 -54.37 40.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.794 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.49 -38.48 69.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.949 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 95' ' ' VAL . 44.9 mt-10 . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 121.203 0.525 . . . . 0.0 111.144 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt . . . . . 0 N--CA 1.457 -0.08 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.73 -40.93 66.54 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.421 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.5 98.72 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 111.011 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.498 HD21 ' HG3' ' A' ' 94' ' ' GLN . 39.2 tp -71.89 -41.12 68.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.847 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.39 -34.03 77.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.657 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.86 -48.53 81.04 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.681 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.523 ' O ' HG23 ' B' ' 18' ' ' VAL . 22.6 tp60 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.644 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.77 -47.6 87.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.542 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.13 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 17' ' ' ARG . 19.8 ttt180 -62.91 -39.85 95.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 14' ' ' GLN . 60.8 t -64.83 -47.01 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.957 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.81 -33.69 87.67 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.348 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -63.28 -37.16 86.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.76 64.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.989 0.423 . . . . 0.0 110.618 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.638 ' HA ' HD21 ' B' ' 28' ' ' LEU . 92.1 mt -80.42 -26.66 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 78.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.481 0.658 . . . . 0.0 111.798 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -162.31 -52.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.942 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.86 -72.02 0.21 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.842 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -83.31 -12.33 56.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.435 -0.45 . . . . 0.0 111.959 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.09 -22.24 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.264 0.554 . . . . 0.0 109.609 169.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.638 HD21 ' HA ' ' B' ' 22' ' ' LEU . 42.3 mt -80.74 -9.06 59.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.649 -177.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.3 -30.6 66.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.135 0.493 . . . . 0.0 109.687 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.0 mt -65.42 -47.5 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.288 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.507 HD12 HD22 ' B' ' 28' ' ' LEU . 87.4 mt -60.41 -43.19 96.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.022 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.45 -42.58 98.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.187 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.14 -43.21 99.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.697 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 75.8 mt -72.94 -18.97 61.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.56 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.22 0.533 . . . . 0.0 109.808 173.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -77.55 -45.6 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.11 151.11 15.89 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.323 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.52 ' CB ' ' HB3' ' B' ' 80' ' ' ARG . 4.8 pt-20 -76.04 133.34 40.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -146.72 159.19 43.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.63 0.252 . . . . 0.0 110.677 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -82.14 169.58 16.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.923 0.392 . . . . 0.0 111.701 -176.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.13 -44.91 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.541 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.88 -47.75 83.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.641 0.258 . . . . 0.0 110.798 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.89 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.98 -49.59 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.69 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.142 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.22 -43.64 98.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.83 69.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.868 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -93.66 -7.95 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 35.61 25.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.838 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.0 ptp -131.83 170.7 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -91.04 170.72 9.8 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.576 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.34 -42.01 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.156 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -65.37 -41.66 93.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.013 0.435 . . . . 0.0 110.678 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.383 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.322 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m -58.16 -36.9 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.1 77.79 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.812 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.05 -43.48 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' B' ' 79' ' ' TYR . 90.2 mt -60.08 -39.85 87.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.183 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.59 -40.44 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.428 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.87 97.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.819 0.342 . . . . 0.0 110.739 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 98.9 mt -66.13 -39.12 89.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 68' ' ' VAL . 75.6 tttt -67.72 -38.08 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.302 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.9 m -66.24 -27.43 67.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.553 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.0 -26.62 64.05 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.499 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.95 20.71 10.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' B' ' 86' ' ' VAL . 3.5 mm? -89.78 -49.27 6.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.736 0.303 . . . . 0.0 111.471 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 29.6 m -115.79 162.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 112.031 -174.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -124.6 152.62 43.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.915 176.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.69 114.37 28.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.207 0.527 . . . . 0.0 111.297 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.634 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 19.4 mmm180 -103.95 94.91 5.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.543 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' B' ' 77' ' ' GLN . 56.2 ttt180 -78.69 122.72 26.34 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -135.32 128.37 31.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.4 -115.32 6.97 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.47 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -116.28 -6.17 11.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . 0.623 ' HG3' HH11 ' B' ' 76' ' ' ARG . 8.9 ptt85 -117.53 149.05 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 24.1 mt-30 -98.72 131.8 44.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.218 0.532 . . . . 0.0 111.056 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.634 ' HB2' ' HB2' ' B' ' 71' ' ' ARG . 80.4 m-85 -89.08 129.99 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.026 170.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.544 ' CD1' HD13 ' B' ' 59' ' ' LEU . 27.0 m-85 -108.45 136.57 47.85 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.317 0.58 . . . . 0.0 110.534 177.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.52 ' HB3' ' CB ' ' B' ' 38' ' ' GLU . 15.8 ptm180 -148.07 168.67 21.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 56.9 mt -68.02 134.08 30.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -55.02 -42.67 72.88 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.995 -173.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.21 169.78 30.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.019 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -71.47 -29.33 64.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.161 0.505 . . . . 0.0 109.724 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.394 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' B' ' 67' ' ' LEU . 45.9 t -65.57 -38.96 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.61 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.05 87.79 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.17 0.509 . . . . 0.0 110.456 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.3 -34.65 78.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.931 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.46 HD11 ' HB ' ' A' ' 93' ' ' VAL . 7.3 tt -61.4 -49.27 77.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.088 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' B' ' 28' ' ' LEU . 86.2 t80 -64.75 -43.39 93.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.646 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.482 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -61.23 -46.95 88.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 63.1 tp -54.3 -53.11 58.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.655 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 15' ' ' VAL . 13.8 p -64.45 -35.07 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.182 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -72.11 -40.53 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 91' ' ' ALA . 53.3 t -61.6 -50.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.08 -31.09 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.677 0.275 . . . . 0.0 111.048 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.28 -56.02 11.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.385 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 9.6 t70 -57.92 -34.7 70.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.267 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.74 -51.03 71.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 120.721 0.296 . . . . 0.0 111.364 -173.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 . . . . . 0 CA--C 1.523 -0.086 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -61.71 -48.78 79.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.727 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.33 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.113 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.27 86.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' VAL . 88.0 mt -66.71 -38.71 87.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.167 0.508 . . . . 0.0 109.918 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.21 -28.37 70.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.682 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.09 -33.39 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.234 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -67.23 -40.6 86.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.724 HG12 HD21 ' B' ' 22' ' ' LEU . 87.6 t -61.96 -42.28 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.276 174.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.774 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -57.37 -54.85 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.79 -29.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.443 ' HA3' HD22 ' B' ' 22' ' ' LEU . . . -68.03 -41.57 87.03 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.268 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 64.7 mtpt -69.15 -32.39 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.636 0.255 . . . . 0.0 111.145 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.21 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.377 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' HD21 ' A' ' 28' ' ' LEU . 8.6 tt -87.49 -14.16 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.281 0.563 . . . . 0.0 110.476 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.41 -6.36 53.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.23 92.65 8.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 178.343 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -60.75 -30.54 72.88 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.542 -0.754 . . . . 0.0 113.209 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -73.26 -22.38 60.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.92 0.391 . . . . 0.0 110.506 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -94.3 -15.8 24.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 90.7 mt -69.83 -24.5 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.84 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.522 ' OE1' HG22 ' A' ' 48' ' ' THR . 22.6 tm0? -61.57 -33.28 73.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.799 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.42 -39.29 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.207 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.52 HD11 HD23 ' A' ' 67' ' ' LEU . 77.8 mt -60.98 -44.93 96.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.558 176.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.23 -39.35 82.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.403 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.9 tp -68.11 -37.66 81.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HD11 ' A' ' 44' ' ' ILE . 84.9 mt -77.41 -24.91 50.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.74 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 110.152 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.59 0.91 54.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.782 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.56 148.84 4.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.41 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.27 140.88 50.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 5.5 ttm180 -146.99 150.02 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.535 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -81.74 157.04 24.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 77' ' ' GLN . 98.4 t -53.02 -45.53 52.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 O-C-N 123.427 0.454 . . . . 0.0 111.988 -177.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.64 -43.49 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.171 0.51 . . . . 0.0 110.578 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . . . -69.86 -36.01 75.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.535 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 40' ' ' ALA . 85.3 mt -64.74 -50.25 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.124 175.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.22 76.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.508 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.9 m -63.9 -49.84 71.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.18 72.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.72 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.522 HG22 ' OE1' ' A' ' 29' ' ' GLN . 40.5 p -83.31 -14.31 53.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.963 0.411 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.84 31.96 51.62 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.149 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 57.4 mtt -116.47 -178.82 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.412 . . . . 0.0 110.239 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -94.5 161.6 14.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.94 -50.52 72.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.632 0.253 . . . . 0.0 111.188 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -59.47 -42.41 91.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.702 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -59.13 -53.61 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.82 85.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.823 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.23 -35.87 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.7 -42.98 81.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -69.36 -39.16 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.429 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' A' ' 79' ' ' TYR . 68.4 mt -65.17 -41.0 95.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.82 -39.56 81.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.97 91.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.759 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.28 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.13 0.49 . . . . 0.0 110.237 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.55 -46.71 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.317 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 p -66.01 -29.64 70.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.223 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.83 -35.09 84.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.469 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.35 16.27 10.51 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.415 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.628 ' HA ' HG11 ' A' ' 86' ' ' VAL . 8.1 mp -88.81 -47.27 8.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 111.757 -177.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.91 157.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.462 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.86 157.41 28.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.987 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.31 114.98 26.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.824 0.345 . . . . 0.0 111.253 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.86 104.88 15.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -88.27 116.85 26.77 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -111.77 94.05 4.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.556 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.72 3.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.558 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.5 p -104.21 -4.93 22.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 111.222 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -103.0 137.74 40.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.959 0.409 . . . . 0.0 110.523 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 41' ' ' VAL . 43.9 tt0 -107.43 113.13 26.29 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.644 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 50.3 m-85 -97.32 147.81 23.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.32 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CD1' HD13 ' A' ' 59' ' ' LEU . 19.1 m-85 -122.91 143.2 50.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.289 0.566 . . . . 0.0 111.262 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 80' ' ' ARG . 26.0 ttt85 -150.26 156.82 42.27 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.823 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 87' ' ' ALA . 55.2 mt -60.82 129.36 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.81 74.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.494 -171.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.3 154.14 25.59 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.168 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.4 -34.17 77.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.3 -40.8 98.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.58 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 67' ' ' LEU . 57.5 t -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.175 0.512 . . . . 0.0 110.326 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 81' ' ' ILE . . . -62.48 -46.0 90.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.92 -24.07 62.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.1 tt -64.66 -55.01 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.83 -38.21 84.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.435 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.49 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.5 tt -60.84 -44.15 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 89' ' ' LEU . 73.1 t -58.61 -40.61 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.606 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.413 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 34.3 tt0 -62.16 -45.35 93.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.77 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 92' ' ' LEU . 92.7 t -58.45 -39.49 75.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.57 74.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.1 -40.41 85.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.598 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.609 178.409 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.629 0.252 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.54 77.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.889 0.376 . . . . 0.0 110.438 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.26 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.747 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.65 -43.12 94.66 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.013 0.435 . . . . 0.0 110.624 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.18 -32.85 72.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.041 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.6 -36.37 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -64.27 -46.22 84.66 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.163 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.422 HG23 HD13 ' A' ' 28' ' ' LEU . 34.3 m -67.68 -31.03 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.34 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -64.82 -38.37 90.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.13 -47.81 83.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.984 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.47 89.95 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.405 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -68.72 -31.04 69.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HA3' ' B' ' 65' ' ' GLY . . . -69.33 -31.95 70.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.217 0.532 . . . . 0.0 110.146 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.724 HD21 HG12 ' A' ' 15' ' ' VAL . 10.1 tt -76.07 -35.84 59.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.618 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 20' ' ' LYS . . . -77.52 76.45 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.863 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.411 ' HB3' ' HD2' ' B' ' 27' ' ' ARG . 36.4 m-80 -133.19 -45.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.05 -107.29 1.37 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.46 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -65.03 -21.04 66.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.764 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD2' ' HB3' ' B' ' 24' ' ' ASN . 100.0 mtt180 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.71 -24.6 62.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 0.0 110.519 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -68.15 -24.53 65.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.154 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -72.89 -37.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.143 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.437 HD11 HD23 ' B' ' 67' ' ' LEU . 84.2 mt -61.53 -41.6 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.462 . . . . 0.0 109.772 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.4 -41.94 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.584 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 16.0 tp -67.61 -35.89 79.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.557 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -80.53 -19.95 44.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.964 0.411 . . . . 0.0 111.124 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.85 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.334 0.588 . . . . 0.0 109.959 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.682 ' HB2' HH21 ' B' ' 39' ' ' ARG . 51.2 mt-30 -77.8 -21.13 52.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.09 168.29 22.75 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.792 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -77.43 125.2 28.95 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.682 HH21 ' HB2' ' B' ' 36' ' ' GLN . 48.4 mtt-85 -132.24 149.0 52.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -173.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -80.99 160.29 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.09 -44.17 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.722 0.296 . . . . 0.0 111.231 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.478 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.9 mm-40 -59.3 -38.51 80.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.45 -48.24 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.406 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 40' ' ' ALA . 77.7 mt -57.95 -50.08 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.017 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.46 89.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.308 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 33.2 m -65.35 -43.91 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.38 72.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.813 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -96.15 -9.22 31.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.688 0.28 . . . . 0.0 111.614 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.8 35.3 62.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.169 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.9 mtm -121.96 169.45 10.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -88.42 155.85 19.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.752 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' B' ' 42' ' ' GLU . 92.9 mt -54.35 -47.88 72.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.605 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.2 p -59.2 -49.66 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.273 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.5 m -56.55 -46.52 80.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.864 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.412 ' HA ' ' ND2' ' B' ' 58' ' ' ASN . . . -64.4 -55.67 19.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -56.15 -40.97 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.405 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.2 68.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.477 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 5.5 p30 -74.92 -26.32 59.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.712 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' B' ' 79' ' ' TYR . 74.3 mt -64.62 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.295 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.78 -38.35 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.142 0.496 . . . . 0.0 109.995 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.75 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.643 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 94.6 mt -64.07 -32.83 74.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.33 -38.63 88.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 110.174 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -66.21 -25.81 67.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.721 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' B' ' 21' ' ' ALA . . . -79.25 -16.29 78.64 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.16 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.82 16.16 49.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.312 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.437 HD23 HD11 ' B' ' 31' ' ' LEU . 10.3 mp -90.74 -45.55 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -176.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.56 165.97 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.962 0.41 . . . . 0.0 111.565 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.47 167.91 20.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' B' ' 79' ' ' TYR . . . -117.23 144.01 45.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.188 0.518 . . . . 0.0 111.618 -175.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 31.0 mmm-85 -116.89 100.28 7.67 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.914 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -78.97 96.38 5.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -114.15 112.03 22.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.426 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.22 -103.46 0.66 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.182 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -124.64 19.84 8.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.082 0.468 . . . . 0.0 110.961 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 76' ' ' ARG . 62.0 mtt85 -124.81 151.67 44.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -111.44 107.94 17.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.969 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 91.9 m-85 -99.87 148.85 24.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.121 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.468 ' CD1' HD13 ' B' ' 59' ' ' LEU . 45.5 m-85 -129.71 148.09 51.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.596 173.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -160.38 160.77 32.71 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 68.5 mt -57.89 133.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.52 179.22 40.02 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.772 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.72 -35.43 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.965 0.412 . . . . 0.0 110.686 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.41 -47.13 82.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.119 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 21.7 t -69.39 -39.91 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.378 . . . . 0.0 110.425 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.94 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -74.43 -34.8 63.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.708 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.89 -48.85 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.13 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.76 -39.64 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.488 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.83 -46.86 80.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.387 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -46.13 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.77 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' B' ' 96' ' ' VAL . 7.6 p -69.05 -29.76 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.954 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -69.62 -44.69 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.254 174.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 91' ' ' ALA . 99.1 t -62.9 -43.72 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' B' ' 93' ' ' VAL . 11.2 p -62.76 -37.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.723 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.36 -48.57 33.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.135 0.493 . . . . 0.0 110.733 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.99 -48.22 77.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.62 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -83.44 -22.02 32.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -171.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 N--CA 1.466 0.325 0 O-C-N 122.221 -0.299 . . . . 0.0 111.403 -179.722 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.964 0.411 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -64.62 -22.56 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.54 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -26.7 67.71 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.928 0.394 . . . . 0.0 110.537 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.83 53.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.307 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' VAL . 89.8 mt -71.32 -41.96 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 109.652 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.22 -20.71 63.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.348 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.02 -44.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.426 HE22 ' HD3' ' A' ' 17' ' ' ARG . 25.7 tp60 -64.89 -41.66 95.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.03 175.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 11' ' ' LEU . 72.8 t -60.38 -45.41 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.44 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -64.39 -20.96 66.47 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.593 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HD3' HE22 ' A' ' 14' ' ' GLN . 45.5 ttt180 -79.72 -42.27 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.943 0.402 . . . . 0.0 110.264 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.04 -46.79 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.034 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.31 82.29 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 88.8 tttt -64.34 -37.51 87.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.713 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 -38.0 65.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.314 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 42.6 tp -90.73 25.06 2.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.11 27.77 0.24 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.675 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.849 HD22 HD11 ' A' ' 28' ' ' LEU . 7.0 m120 63.56 -156.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.581 167.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.63 -154.64 20.37 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.39 -176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.79 -11.3 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.27 0.557 . . . . 0.0 110.912 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HG2' ' HB3' ' A' ' 58' ' ' ASN . 66.6 mtm180 -70.04 -25.31 63.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.461 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.849 HD11 HD22 ' A' ' 24' ' ' ASN . 70.0 mt -71.08 -27.92 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.271 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.3 -32.25 71.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 109.743 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 67.0 mt -67.52 -47.71 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.889 175.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 28' ' ' LEU . 94.5 mt -60.31 -40.15 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.585 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.44 -31.43 69.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.781 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 56.8 tp -83.2 -35.09 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.203 178.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.2 mt -75.07 -29.07 60.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.824 0.345 . . . . 0.0 111.293 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.87 -25.13 65.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.945 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -98.09 15.11 25.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.06 153.53 6.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.608 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 9.8 pt-20 -71.8 132.79 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.811 0.339 . . . . 0.0 110.398 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 16.2 mmt180 -128.56 146.48 50.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.251 -175.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 159.25 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -51.3 -46.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.351 0.407 . . . . 0.0 111.669 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.41 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.434 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.23 -47.94 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.66 77.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.266 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 m -63.15 -49.35 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.13 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -85.92 -15.07 42.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.834 0.349 . . . . 0.0 111.474 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.12 14.29 80.75 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.262 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 68.4 mtm -119.69 122.87 42.44 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -68.13 167.56 13.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 111.486 -172.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.07 -41.92 36.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -168.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -56.21 -55.37 34.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.797 0.332 . . . . 0.0 111.492 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.6 m -65.84 -40.22 91.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.094 0.474 . . . . 0.0 110.539 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.35 65.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -59.43 -40.35 86.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.783 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.9 91.91 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.932 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 41.0 m-80 -75.66 -37.57 59.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.043 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.37 -46.2 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -61.17 -42.02 97.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.56 90.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 67' ' ' LEU . 93.3 mt -67.34 -35.18 78.87 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -75.12 -37.32 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -67.15 -29.27 68.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.65 73.04 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.64 18.87 42.98 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.71 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.54 ' HG ' HG13 ' A' ' 68' ' ' VAL . 1.3 pt? -104.83 -13.27 15.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.002 0.901 . . . . 0.0 111.308 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.54 HG13 ' HG ' ' A' ' 67' ' ' LEU . 21.1 m -129.46 161.47 38.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 174.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.14 155.97 49.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.328 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . . . -123.93 138.2 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.224 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -118.66 144.68 46.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.19 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -97.11 118.36 33.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.614 0.245 . . . . 0.0 110.926 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -126.35 105.35 8.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.002 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -103.08 1.21 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.749 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -115.7 -8.7 12.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.525 0.679 . . . . 0.0 109.882 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -97.63 152.2 19.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.642 0.734 . . . . 0.0 112.302 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.74 114.54 27.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.747 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -97.14 123.16 40.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 51.2 m-85 -101.91 143.19 32.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.785 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 38.6 ttp85 -155.55 163.19 40.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.452 ' CG2' ' HB ' ' A' ' 86' ' ' VAL . 47.3 mm -55.84 132.84 19.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.62 76.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.771 0.32 . . . . 0.0 111.773 -174.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.93 155.19 26.05 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.067 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.88 -34.16 65.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.118 0.485 . . . . 0.0 111.074 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.77 -27.23 68.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.301 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' ' 67' ' ' LEU . 46.9 t -76.38 -34.86 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.47 89.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.933 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 88' ' ' ARG . 19.8 mtm105 -69.97 -29.61 66.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.029 175.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' B' ' 92' ' ' LEU . 6.2 tt -65.45 -47.97 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 175.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.09 -37.39 87.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.156 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.93 -44.17 93.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 96' ' ' VAL . 60.7 tp -58.7 -50.66 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.48 HG22 HG13 ' B' ' 15' ' ' VAL . 8.0 p -67.01 -29.97 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.044 0.45 . . . . 0.0 110.542 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -70.69 -36.45 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.909 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.3 t -62.63 -41.66 93.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 92' ' ' LEU . 84.0 t -53.58 -41.87 47.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.35 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.33 -58.34 3.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.987 0.422 . . . . 0.0 111.143 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.51 -49.02 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.705 -171.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 . . . . . 0 C--N 1.326 -0.419 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.825 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 pttt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.985 0.421 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -28.72 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.721 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.519 . . . . 0.0 110.211 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 15' ' ' VAL . 4.1 mm? -70.12 -44.46 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.94 -46.45 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.095 0.474 . . . . 0.0 109.889 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.49 -44.89 93.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.615 HG12 ' ND2' ' A' ' 24' ' ' ASN . 81.5 t -59.24 -36.74 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.294 175.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.717 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -58.92 -41.65 87.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.625 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -68.12 -42.12 80.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.86 -51.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.267 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.36 72.61 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.41 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -51.26 -39.26 56.35 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.816 0.446 . . . . 0.0 111.932 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -34.56 65.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.433 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.8 tp -91.9 2.75 56.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 -176.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.04 83.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.238 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.485 ' N ' HD22 ' B' ' 24' ' ' ASN . 0.1 OUTLIER -176.18 169.77 2.74 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.539 -174.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.8 169.64 12.4 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.433 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.472 ' HD2' ' SD ' ' B' ' 50' ' ' MET . 0.2 OUTLIER -78.74 -13.77 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 109.647 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.587 ' HB3' ' HB3' ' B' ' 58' ' ' ASN . 16.9 ptt180 -60.63 -18.88 56.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.16 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.77 -32.01 72.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -67.98 -28.79 67.74 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.459 0.647 . . . . 0.0 110.162 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 69.4 mt -69.32 -38.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.691 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.55 -38.62 88.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.288 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.64 -44.67 77.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' B' ' 44' ' ' ILE . 60.0 tp -72.25 -41.47 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.177 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 78.8 mt -67.84 -26.7 66.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 111.268 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.64 -10.46 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.192 0.52 . . . . 0.0 110.478 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -102.62 12.1 36.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.161 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.26 150.76 7.17 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.172 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.76 139.17 48.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.712 ' HG2' ' HB3' ' B' ' 43' ' ' ALA . 14.7 ttm-85 -151.33 152.25 32.9 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.974 -171.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -80.47 159.89 25.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.975 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.46 -44.68 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.223 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' B' ' 52' ' ' LEU . 2.0 mp0 -55.76 -51.53 67.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.156 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.712 ' HB3' ' HG2' ' B' ' 39' ' ' ARG . . . -67.13 -36.85 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.492 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . 84.9 mt -61.2 -47.4 93.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.392 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.34 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.853 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.4 m -62.62 -46.64 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.26 96.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.817 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 8.9 p -86.28 -9.12 57.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 0.0 111.468 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.25 25.82 72.11 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.161 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' B' ' 26' ' ' ARG . 68.7 mtm -107.62 171.29 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -78.43 151.0 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.096 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' B' ' 42' ' ' GLU . 3.9 mm? -48.76 -46.16 40.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.586 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -67.49 -38.34 84.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.304 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -60.67 -48.52 81.41 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.201 0.525 . . . . 0.0 110.235 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.38 76.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.687 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 45.2 t -57.04 -46.53 82.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.238 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.93 81.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.845 0.355 . . . . 0.0 111.232 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.587 ' HB3' ' HB3' ' B' ' 27' ' ' ARG . 38.9 m-80 -71.92 -35.49 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.002 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' B' ' 79' ' ' TYR . 80.5 mt -62.8 -45.91 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.81 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 56' ' ' SER . 94.4 mt-30 -62.03 -38.16 87.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.32 88.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.758 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.1 -39.26 94.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.92 -33.0 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.401 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -69.16 -28.51 66.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.35 -8.57 71.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.386 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 22.63 43.81 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.708 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.61 -42.92 13.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.51 155.34 40.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 0.0 111.868 -176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.98 161.9 14.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.57 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.49 119.13 25.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -103.24 106.68 17.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 72' ' ' ARG . 30.0 ttt180 -97.34 104.34 16.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.384 0.611 . . . . 0.0 111.167 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -100.71 109.91 21.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.483 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.68 -129.69 30.6 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.471 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 5.8 p -94.01 13.43 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.884 0.373 . . . . 0.0 111.469 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -108.65 139.1 43.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.44 . . . . 0.0 111.159 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 27.3 mt-30 -112.05 103.99 12.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.128 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 90.0 m-85 -92.45 121.22 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.978 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.413 ' CD1' HD13 ' B' ' 59' ' ' LEU . 60.0 m-85 -100.9 147.44 26.12 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 121.215 0.531 . . . . 0.0 110.889 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 80' ' ' ARG . 29.5 ttm180 -150.58 157.47 43.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.43 131.11 25.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.78 62.49 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.402 0.439 . . . . 0.0 111.907 -174.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.03 166.84 28.4 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.481 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 1.1 pm0 -68.84 -26.38 65.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.687 0.244 . . . . 0.0 110.389 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.945 0.403 . . . . 0.0 110.079 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.14 -40.59 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.073 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.36 93.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.162 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 64.9 mtm-85 -71.86 -23.81 61.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.63 -48.17 64.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.96 -34.88 79.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.462 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -70.09 -36.68 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' A' ' 89' ' ' LEU . 47.4 tp -63.94 -48.03 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.744 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.51 -27.7 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.206 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . 0.413 ' HB3' ' O ' ' B' ' 91' ' ' ALA . 7.2 tt0 -63.31 -43.7 97.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.2 t -63.75 -46.66 93.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -38.42 51.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.655 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.72 -64.11 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -52.61 -45.0 66.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.384 -173.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.93 -29.57 65.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 . . . . . 0 C--N 1.323 -0.548 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -168.494 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -81.66 -27.33 34.12 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.3 77.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.54 66.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.7 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.7 mt -69.68 -42.19 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.96 -34.05 76.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.18 -42.08 94.0 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.18 -37.25 80.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' LEU . 97.1 t -63.47 -45.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.11 0.481 . . . . 0.0 109.726 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.42 -29.14 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.639 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.647 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 5.6 tpp180 -59.59 -53.56 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.213 0.53 . . . . 0.0 110.044 177.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.3 t -65.5 -40.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.794 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.67 -42.82 98.05 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.092 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.7 ptpt -73.43 -23.49 60.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.03 0.415 . . . . 0.0 110.989 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.31 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.451 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 28' ' ' LEU . 91.5 mt -78.64 -25.41 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.2 3.88 5.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 13.0 m120 -82.61 -36.38 26.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.582 0.23 . . . . 0.0 111.366 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.515 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 76.65 -62.01 3.2 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.059 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -55.1 -45.87 75.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.315 0.579 . . . . 0.0 111.345 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 69.9 mtt180 -78.89 -9.21 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.582 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 22' ' ' LEU . 97.5 mt -69.66 -22.91 63.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.489 ' OE1' ' HD3' ' B' ' 8' ' ' LYS . 10.6 mm100 -59.15 -34.83 72.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.637 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.484 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 61.0 mt -70.62 -41.22 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.098 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 28' ' ' LEU . 83.8 mt -63.54 -43.82 95.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.955 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.46 -26.98 68.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.659 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.538 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 2.3 tm? -82.73 -38.25 23.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.063 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 65.6 mt -77.0 -10.41 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.431 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.92 -16.29 64.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -78.61 -31.94 47.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.18 -136.58 5.09 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.756 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.645 ' HB3' ' HD2' ' A' ' 80' ' ' ARG . 9.3 pt-20 -105.12 123.69 48.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.985 0.421 . . . . 0.0 110.422 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.538 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 26.5 mmt180 -124.26 143.26 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.643 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -72.2 153.29 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.7 -43.39 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 52' ' ' LEU . 1.5 mp0 -64.42 -37.82 88.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.465 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.36 77.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.5 mt -59.45 -47.29 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.442 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -62.73 -46.46 87.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.63 84.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.6 p -84.29 -16.56 42.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.21 24.61 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.337 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mtm -126.8 171.32 11.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -92.08 167.64 11.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.82 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.5 mm? -63.37 -41.75 98.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.245 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.5 p -61.49 -46.83 88.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 111.764 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -72.61 -40.48 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.569 0.223 . . . . 0.0 110.585 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.82 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.474 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 p -65.79 -35.53 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.325 . . . . 0.0 110.79 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.05 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.439 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.71 -39.9 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.409 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.0 mt -60.99 -40.27 92.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.288 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.59 -39.92 92.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.53 95.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.52 -34.92 77.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.28 0.562 . . . . 0.0 110.939 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -78.72 -26.97 44.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.413 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -67.22 -37.56 83.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.647 ' HA2' ' HG3' ' A' ' 17' ' ' ARG . . . -67.3 -24.17 73.47 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.8 43.84 13.67 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.76 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.669 ' HB2' HG11 ' A' ' 86' ' ' VAL . 1.4 pt? -125.06 3.97 7.95 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.063 -0.655 . . . . 0.0 112.162 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.75 148.43 25.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 110.79 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -121.11 160.97 22.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -123.0 129.41 51.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.548 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.84 105.91 14.51 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' HG2' ' A' ' 77' ' ' GLN . 21.4 ptt85 -89.92 137.14 32.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 0.0 110.859 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -139.05 112.94 8.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.146 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 -107.53 2.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.47 -175.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -119.16 7.78 11.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.447 . . . . 0.0 110.089 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.14 148.18 26.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.849 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 26.0 mt-30 -121.8 116.0 23.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 175.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -95.6 116.67 29.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 35.3 m-85 -99.55 145.43 27.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.006 0.432 . . . . 0.0 110.308 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.645 ' HD2' ' HB3' ' A' ' 38' ' ' GLU . 12.3 ptm180 -154.41 164.59 38.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.06 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.8 mm -61.14 135.02 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.035 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.12 83.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.67 167.37 33.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.274 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.78 -30.59 70.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 110.999 -177.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.669 HG11 ' HB2' ' A' ' 67' ' ' LEU . 43.4 t -77.11 -39.04 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.762 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.93 94.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.305 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -67.75 -26.49 66.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.115 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.24 -51.59 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.39 -34.03 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.61 -44.74 85.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.206 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.1 tt -58.97 -51.51 69.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.446 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.627 HG12 HD11 ' B' ' 89' ' ' LEU . 19.1 m -65.01 -28.99 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -72.66 -38.04 67.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 91' ' ' ALA . 82.0 t -64.23 -37.0 78.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 174.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' LEU . 88.9 t -61.37 -45.06 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.577 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HB2' HG13 ' B' ' 15' ' ' VAL . . . -71.21 -15.38 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 111.098 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.96 -70.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.378 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.691 -173.261 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.489 ' HD3' ' OE1' ' A' ' 29' ' ' GLN . 82.5 mttt . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 111.43 0.159 . . . . 0.0 111.43 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.29 -28.44 28.06 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.36 0.412 . . . . 0.0 111.924 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.16 -38.61 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.966 0.413 . . . . 0.0 110.87 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.92 -42.72 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.999 -175.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' B' ' 15' ' ' VAL . 85.8 mt -69.34 -31.21 69.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -178.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.27 -37.91 81.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 6.3 tp-100 -65.8 -47.17 75.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.809 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 97' ' ' ALA . 25.9 m -70.73 -31.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.072 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.32 -24.56 65.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.096 0.474 . . . . 0.0 110.264 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.576 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 42.4 ttm180 -70.88 -42.36 70.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.966 174.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 52.5 t -58.79 -52.69 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.355 176.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.84 -36.69 92.42 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.352 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -67.32 -28.97 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.525 0.203 . . . . 0.0 111.08 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.34 -20.69 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 88.0 mt -85.7 -31.96 22.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.39 84.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.208 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -169.95 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.834 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.456 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . 100.34 -53.04 0.94 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.474 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -57.72 -41.19 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -83.11 -13.38 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.04 0.448 . . . . 0.0 110.488 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.456 HD12 ' HA2' ' B' ' 25' ' ' GLY . 90.7 mt -72.41 -26.34 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.5 -31.98 71.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.111 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.427 HG21 HD21 ' B' ' 59' ' ' LEU . 65.6 mt -69.16 -43.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.328 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -42.24 96.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.8 -33.98 76.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.429 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 31.9 tp -75.43 -48.09 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.828 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.41 HD21 HD11 ' B' ' 44' ' ' ILE . 84.3 mt -71.03 -8.63 54.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.898 0.38 . . . . 0.0 111.62 -177.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -17.28 64.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 3.7 pt20 -86.04 -28.16 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.436 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.43 -173.71 35.53 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.236 -0.507 . . . . 0.0 111.877 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 1.088 ' HG2' ' HB3' ' B' ' 80' ' ' ARG . 40.1 mt-10 -79.84 131.07 35.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.622 0.248 . . . . 0.0 110.708 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -135.16 158.3 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.553 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.455 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.72 150.36 25.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.276 -176.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 47.4 t -51.54 -44.99 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.482 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -44.21 85.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.395 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -40.73 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.985 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 40' ' ' ALA . 79.0 mt -59.63 -47.31 91.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.543 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -49.4 77.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.716 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 55.9 m -59.36 -48.46 81.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.597 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.24 82.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.3 p -88.45 -14.3 38.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 111.507 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.66 51.39 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.297 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -105.56 170.79 7.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.34 163.66 13.79 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.422 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.07 -38.94 84.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.641 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -62.37 -42.04 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -63.66 -49.58 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.41 79.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.441 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 p -61.68 -31.27 71.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.81 -56.04 6.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.579 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.47 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 26.7 p30 -73.3 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.828 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.427 HD21 HG21 ' B' ' 30' ' ' ILE . 57.3 mt -64.09 -41.65 97.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -59.45 -43.5 93.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.464 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.97 82.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.211 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 79.4 mt -65.06 -33.67 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.258 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -71.51 -32.59 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.921 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 44.7 t -64.93 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.576 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -76.74 -14.23 82.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.431 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.24 43.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.379 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 67' ' ' LEU . 4.1 mm? -88.49 -40.05 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.32 154.73 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.122 0.487 . . . . 0.0 111.833 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -116.63 164.35 14.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.789 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.04 137.24 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -171.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -98.14 153.81 18.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.414 ' HG3' ' HG2' ' B' ' 77' ' ' GLN . 43.2 ttp180 -138.96 103.83 4.89 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.999 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -124.15 111.19 15.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.662 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.16 -114.25 4.11 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -112.54 -6.89 13.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.418 0.628 . . . . 0.0 109.483 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . 0.442 ' HD2' ' CE1' ' B' ' 78' ' ' TYR . 13.4 ttm180 -94.46 140.17 30.17 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.097 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.414 ' HG2' ' HG3' ' B' ' 72' ' ' ARG . 23.5 mt-30 -117.84 135.23 54.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.162 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' B' ' 76' ' ' ARG . 58.5 m-85 -107.52 144.48 34.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.53 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -123.22 145.81 48.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.206 0.527 . . . . 0.0 111.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 1.088 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -144.45 174.72 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.835 174.588 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -67.82 133.79 31.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.62 60.33 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.54 31.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.182 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 43.3 tt0 -68.62 -30.19 68.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.058 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.68 -32.96 59.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.4 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.85 94.93 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.615 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 27.0 mmt180 -72.64 -27.21 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.134 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.627 HD11 HG12 ' A' ' 93' ' ' VAL . 5.7 tt -61.48 -53.47 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.023 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.52 -36.03 81.28 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.116 0.484 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.424 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.28 -47.78 72.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.8 -45.31 94.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.68 -29.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.22 -39.19 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 91' ' ' ALA . 76.3 t -60.58 -46.98 94.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.186 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 97.3 t -57.14 -45.53 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.363 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.08 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.374 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.04 -48.79 79.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.782 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.713 ' HG3' ' HD2' ' B' ' 100' ' ' HIS . 5.0 pt-20 -85.23 -18.01 35.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . 0.713 ' HD2' ' HG3' ' B' ' 99' ' ' GLU . 10.5 m170 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 62.2 mtp180 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.561 0.219 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -62.78 -41.74 99.38 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.85 76.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.913 0.387 . . . . 0.0 110.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -66.33 -34.27 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.276 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 96.2 mt -72.76 -37.55 67.63 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 95.3 mt -60.8 -40.97 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.258 175.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.37 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -68.9 -39.91 79.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.266 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.798 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -59.4 -40.15 85.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.94 -43.57 91.24 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.699 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.98 -42.26 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.151 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.37 -41.07 99.77 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.573 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 98.7 mttt -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.5 0.191 . . . . 0.0 110.887 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.2 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.0 tp -77.97 -14.89 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.548 0.69 . . . . 0.0 109.892 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.46 21.37 11.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.252 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.618 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -80.06 -1.16 38.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.974 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.07 -95.74 0.12 Allowed Glycine 0 C--O 1.229 -0.203 0 CA-C-N 116.005 -0.543 . . . . 0.0 113.879 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 26' ' ' ARG . 19.2 mtp180 -65.25 -28.81 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 111.367 -175.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.618 ' HB2' ' HB3' ' A' ' 24' ' ' ASN . 89.2 mtt180 -71.29 -14.62 62.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.034 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' B' ' 12' ' ' LEU . 83.4 mt -70.07 -20.28 63.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.806 0.336 . . . . 0.0 110.098 177.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.77 -35.46 79.89 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.628 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.4 mt -67.56 -40.81 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.736 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -38.96 88.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 110.113 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 tp -74.3 -38.21 63.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.726 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 77.6 mt -72.64 -18.41 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.207 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.34 61.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.115 0.483 . . . . 0.0 110.066 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -80.13 -40.02 28.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.491 175.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.67 178.59 39.85 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.612 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -83.89 146.69 27.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.642 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -146.03 164.55 31.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.002 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.46 151.56 32.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.225 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.45 -41.84 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.558 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 52' ' ' LEU . 34.9 tt0 -59.44 -45.75 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.098 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.27 83.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.735 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.45 -47.26 92.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.46 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.8 72.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.7 m -59.39 -47.1 86.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.268 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.99 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.948 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.86 -11.02 34.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 111.664 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.41 19.1 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.653 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.3 mtm -126.9 162.19 26.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -77.83 158.04 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 42' ' ' GLU . 10.9 mp -58.83 -44.69 90.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.912 0.386 . . . . 0.0 111.099 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -61.95 -44.76 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 110.901 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -60.88 -47.33 86.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.037 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.88 94.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.685 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.6 m -59.87 -37.5 79.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -44.1 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 0.0 110.628 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -64.37 -40.08 95.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 30' ' ' ILE . 88.9 mt -67.25 -36.64 82.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.141 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -60.07 -40.19 88.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.708 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.84 76.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.572 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 27' ' ' ARG . 95.7 mt -63.52 -36.82 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -69.22 -36.33 77.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.405 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.2 m -74.88 -19.18 60.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.697 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 -16.91 73.15 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.99 13.33 56.58 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.95 -41.37 14.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.657 0.265 . . . . 0.0 111.485 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.6 m -122.28 162.22 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.076 0.465 . . . . 0.0 111.738 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.876 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -133.28 155.58 49.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.01 177.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.34 126.26 44.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' HG3' ' A' ' 38' ' ' GLU . 15.5 mtm180 -98.11 126.12 43.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -82.75 95.17 7.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.85 108.67 19.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.712 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.58 -125.14 28.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.373 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -105.64 11.17 32.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.624 0.726 . . . . 0.0 109.724 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -111.91 148.2 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.106 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -102.3 116.04 31.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.472 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -102.68 116.76 33.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.74 149.51 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.548 ' HG2' ' H ' ' A' ' 81' ' ' ILE . 35.5 ttp180 -158.63 172.0 19.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.548 ' H ' ' HG2' ' A' ' 80' ' ' ARG . 54.5 mt -57.53 137.19 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.876 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -47.04 -49.81 20.65 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.602 0.564 . . . . 0.0 112.162 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.57 169.56 32.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 40.3 tt0 -64.61 -31.23 72.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.121 0.46 . . . . 0.0 110.009 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.89 -45.86 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.216 0.532 . . . . 0.0 109.693 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.93 -34.1 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.146 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.77 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.055 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 9.9 mmm-85 -69.58 -33.76 73.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.94 -47.03 79.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.082 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.86 -33.88 77.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 110.443 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.32 -41.18 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.889 0.376 . . . . 0.0 110.183 175.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.22 -51.6 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.474 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.508 HG12 HD11 ' B' ' 89' ' ' LEU . 33.1 m -64.56 -30.53 50.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.339 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -72.69 -43.19 63.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.093 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 73.2 t -63.83 -46.79 93.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.504 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.4 -36.27 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 120.65 0.262 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.85 70.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 110.409 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.8 -50.25 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.272 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.168 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -28.43 64.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.009 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.388 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 15' ' ' VAL . 92.1 mt -67.67 -43.56 79.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 28' ' ' LEU . 70.5 mt -65.02 -33.97 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.349 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.64 -40.0 94.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 11' ' ' LEU . 93.6 t -63.64 -38.91 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.995 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.54 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.831 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.517 HH21 ' HA3' ' B' ' 66' ' ' GLY . 16.3 ttp180 -58.26 -47.94 81.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.312 0.577 . . . . 0.0 109.459 178.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.637 HG13 HD21 ' B' ' 67' ' ' LEU . 62.7 t -63.41 -47.49 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.473 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.99 -40.22 93.02 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.744 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -70.17 -26.17 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.595 0.235 . . . . 0.0 111.068 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.58 -30.99 66.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.345 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.536 HD22 HD11 ' B' ' 67' ' ' LEU . 3.9 mm? -82.43 -17.51 45.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.209 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.65 48.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 111.66 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -135.86 -175.34 3.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.908 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.41 -55.17 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.005 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.37 -26.6 66.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.164 0.507 . . . . 0.0 110.648 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.42 ' HB3' HD21 ' B' ' 62' ' ' LEU . 99.3 mtt180 -83.4 -18.47 38.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.295 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.34 -29.19 42.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.3 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.87 -28.21 67.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.429 0.633 . . . . 0.0 109.654 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.504 HG12 HG21 ' B' ' 48' ' ' THR . 66.0 mt -66.79 -40.08 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.544 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.98 -41.46 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -26.46 64.09 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.839 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.53 -36.07 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.542 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' B' ' 39' ' ' ARG . 96.1 mt -84.03 -10.55 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.13 70.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.936 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -91.9 15.51 12.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.13 159.18 9.82 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.803 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' B' ' 80' ' ' ARG . 8.7 pt-20 -74.13 136.34 42.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.77 -0.215 . . . . 0.0 110.671 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' HD23 ' B' ' 34' ' ' LEU . 18.0 mtp180 -134.64 162.23 32.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.678 0.275 . . . . 0.0 110.354 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -78.36 159.34 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.518 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 77' ' ' GLN . 59.6 t -54.31 -43.41 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.288 -178.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.483 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.3 mp0 -58.72 -43.8 90.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.46 80.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.56 -51.65 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.614 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.48 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.32 -178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -58.0 -50.77 72.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.26 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.504 HG21 HG12 ' B' ' 30' ' ' ILE . 20.3 p -87.86 -18.71 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.584 0.23 . . . . 0.0 111.431 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.9 21.29 47.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.164 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -119.13 158.54 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -78.77 158.26 28.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 42' ' ' GLU . 93.9 mt -50.04 -46.71 53.27 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.522 0.514 . . . . 0.0 111.934 -175.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -60.27 -49.3 78.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.673 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -70.31 -37.22 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.882 0.373 . . . . 0.0 110.983 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.27 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.533 ' HA ' HD12 ' B' ' 59' ' ' LEU . 15.9 p -65.57 -32.99 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.05 97.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.747 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -74.84 -30.47 61.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.739 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' B' ' 56' ' ' SER . 56.6 mt -63.47 -41.52 98.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.231 173.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.16 -36.84 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.618 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.91 93.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' B' ' 27' ' ' ARG . 96.0 mt -67.79 -29.72 68.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 0.0 110.281 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -68.84 -42.81 76.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.725 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 7.4 p -71.52 -20.62 62.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.401 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.3 -28.93 62.98 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 171.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . 0.517 ' HA3' HH21 ' B' ' 17' ' ' ARG . . . 99.82 24.27 10.06 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.451 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.637 HD21 HG13 ' B' ' 18' ' ' VAL . 8.4 mt -98.78 -43.82 6.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 111.132 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.39 161.42 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.236 0.541 . . . . 0.0 111.513 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -130.96 164.08 26.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.772 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -118.84 136.88 53.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 0.0 111.25 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -132.05 113.03 12.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.141 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -78.95 128.8 33.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.059 0.457 . . . . 0.0 110.422 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.25 107.85 7.9 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.69 -121.62 12.76 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.124 -171.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -102.77 -4.1 25.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 109.938 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -94.11 151.19 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.478 ' O ' HG23 ' B' ' 41' ' ' VAL . 9.8 tt0 -116.59 116.49 27.68 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.465 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 83.7 m-85 -98.52 133.05 43.42 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.278 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.42 ' CD1' HD13 ' B' ' 59' ' ' LEU . 42.1 m-85 -106.62 131.87 53.27 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.029 0.443 . . . . 0.0 110.057 176.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.45 ' CB ' ' HB3' ' B' ' 38' ' ' GLU . 4.3 ptm180 -133.04 166.49 22.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.77 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 55.6 mt -74.77 135.64 26.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.45 66.49 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -174.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.45 173.62 41.89 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.468 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.99 -28.72 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.258 0.551 . . . . 0.0 110.438 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.45 -48.89 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.678 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 52.2 t -67.71 -38.51 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.523 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.12 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.838 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -65.2 -33.47 76.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.508 HD11 HG12 ' A' ' 93' ' ' VAL . 5.8 tt -60.27 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.047 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -65.24 -38.23 89.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.492 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.458 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.62 -46.38 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 96' ' ' VAL . 47.4 tp -63.26 -50.68 69.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.61 -31.45 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.763 0.316 . . . . 0.0 110.873 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -62.4 -44.13 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 109.955 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.9 t -63.81 -42.79 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.442 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 92' ' ' LEU . 91.1 t -55.32 -48.42 76.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.694 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.98 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.1 -50.36 74.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.04 -176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -72.2 -13.36 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.945 0.402 . . . . 0.0 111.167 -176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 . . . . . 0 C--N 1.329 -0.316 0 O-C-N 122.221 -0.3 . . . . 0.0 111.057 177.905 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 . . . . . 0 C--O 1.233 0.233 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.51 -23.22 61.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.163 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.21 -33.29 70.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.257 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.03 83.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -76.52 -36.08 57.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.045 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.44 -40.92 89.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.69 -36.41 83.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.698 0.285 . . . . 0.0 110.428 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -58.13 -54.83 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.681 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.4 -29.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.718 0.294 . . . . 0.0 111.233 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -33.3 70.86 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.38 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -62.47 -42.03 99.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.21 -51.8 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.273 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.73 -25.88 71.88 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.773 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.35 -34.25 67.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.806 0.336 . . . . 0.0 110.682 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.31 -25.9 33.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.18 0.514 . . . . 0.0 109.9 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -35.61 72.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.642 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB1' ' HG2' ' B' ' 20' ' ' LYS . . . -80.14 20.66 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.034 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.98 -37.04 22.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.07 -62.1 4.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.95 0.405 . . . . 0.0 111.16 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HB3' HD21 ' A' ' 62' ' ' LEU . 42.4 mtm-85 -71.19 -10.04 59.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.832 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.738 0.304 . . . . 0.0 110.433 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -65.22 -28.93 69.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.043 0.449 . . . . 0.0 110.273 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.6 mt -72.61 -44.57 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.994 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.78 -39.62 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.25 -36.98 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.954 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 58.9 tp -74.74 -41.52 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.37 -4.85 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.312 -177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 -15.01 63.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.246 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.7 pt20 -99.3 -7.27 26.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.316 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.55 -133.51 4.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.055 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 9.1 pt-20 -123.52 137.05 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.064 0.459 . . . . 0.0 111.005 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 39' ' ' ARG . 11.8 mmt180 -137.68 147.57 44.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -70.03 152.24 44.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.467 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.1 t -53.7 -42.49 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 mp0 -59.3 -39.25 82.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.642 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.11 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.581 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 40' ' ' ALA . 80.9 mt -60.38 -44.28 95.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.24 -57.09 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.006 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.1 m -62.72 -39.32 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.6 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.74 73.1 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.9 p -95.76 -9.89 30.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 0.0 111.361 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.52 36.44 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.332 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.412 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 75.6 mtm -115.78 169.79 8.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -94.79 166.61 11.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 96.0 mt -53.99 -42.33 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.311 0.382 . . . . 0.0 110.876 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 p -57.06 -54.99 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.549 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.412 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 3.1 m -63.29 -42.54 99.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.223 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.64 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.242 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.0 t -61.32 -38.31 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.234 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.83 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.36 -35.25 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.152 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.25 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -64.82 -40.81 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 109.982 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.67 85.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.647 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 98.7 mt -73.65 -7.59 52.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.233 177.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 33.3 ttmt -78.11 -69.67 0.54 Allowed 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -47.92 -43.15 28.76 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.032 -175.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.92 20.82 3.21 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.908 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.647 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -115.28 -19.06 5.98 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 119.861 -1.161 . . . . 0.0 111.814 -176.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 67' ' ' LEU . 6.2 mt 76.33 40.69 0.23 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.711 169.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 62' ' ' LEU . 27.2 m -120.5 148.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 173.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.77 176.89 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.782 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 78' ' ' TYR . . . -139.83 142.36 36.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -127.18 133.89 50.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.177 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -87.78 103.78 15.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.481 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.18 89.77 3.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.826 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.8 -96.85 0.03 OUTLIER Glycine 0 C--N 1.33 0.205 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.937 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -91.64 -21.41 20.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.873 0.368 . . . . 0.0 111.451 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -113.89 167.61 10.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.184 0.516 . . . . 0.0 111.478 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 35.5 tt0 -124.68 114.42 19.3 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.6 m-85 -96.53 133.39 41.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.38 149.92 30.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 18.8 ptt180 -161.48 166.39 27.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -177.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.3 134.64 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -65.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.553 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.35 164.29 17.78 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.415 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -69.71 -26.48 64.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.82 -35.75 81.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.09 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 67' ' ' LEU . 60.4 t -65.49 -44.44 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.113 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.429 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.5 mtm105 -66.12 -30.24 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.468 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.45 -50.38 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.99 -31.61 70.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.328 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -72.22 -33.6 67.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 177.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.88 -46.73 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.402 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.34 -29.02 46.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.631 ' HA ' HD11 ' B' ' 11' ' ' LEU . 29.3 tt0 -65.17 -41.39 94.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.051 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.5 t -60.79 -44.52 97.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 110.323 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.5 -49.92 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.435 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' B' ' 11' ' ' LEU . . . -66.61 -48.44 69.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.134 -176.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -55.5 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.001 0.429 . . . . 0.0 112.098 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--N 1.323 -0.556 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -169.088 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 23.7 ttmm . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 120.726 0.298 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.66 92.05 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.639 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -31.51 72.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.725 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' A' ' 94' ' ' GLN . 22.9 tp -64.03 -53.26 52.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.847 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.39 -35.45 79.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.267 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.61 -45.6 71.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.232 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.92 -39.5 76.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.318 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.21 -30.48 48.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.531 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -66.43 -40.32 89.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.185 174.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -57.71 -47.0 83.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.732 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.534 HG13 HD21 ' B' ' 67' ' ' LEU . 58.3 t -60.93 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.568 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -45.79 95.18 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.531 ' HG2' ' HB1' ' A' ' 23' ' ' ALA . 59.9 mtpt -64.4 -25.58 68.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.544 0.211 . . . . 0.0 111.406 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.5 -39.57 62.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.4 -36.23 34.12 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.185 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.82 97.53 0.35 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.045 0.45 . . . . 0.0 110.821 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -166.27 -43.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.338 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.52 -59.12 0.94 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.427 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -68.64 -25.83 65.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 111.422 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -74.86 -16.71 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.34 -22.81 60.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.308 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.79 -33.29 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.168 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 58.9 mt -70.55 -42.74 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.141 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.03 -39.21 93.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.83 -32.86 73.21 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.608 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.407 ' HA ' HE21 ' B' ' 36' ' ' GLN . 59.4 tp -77.72 -46.66 21.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.007 177.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 51.7 mt -69.46 -15.73 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.822 0.344 . . . . 0.0 111.711 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.59 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.506 . . . . 0.0 110.134 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' B' ' 33' ' ' LEU . 43.6 mt-30 -91.43 -7.41 50.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.929 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.43 -178.01 22.64 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.354 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.5 OUTLIER -87.31 122.92 31.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.167 179.054 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.486 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -119.66 141.48 49.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.185 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -69.19 159.23 33.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.45 -40.94 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 110.916 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.515 ' HG3' HD21 ' B' ' 52' ' ' LEU . 2.2 mp0 -59.38 -44.71 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.08 72.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.968 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -58.72 -43.77 88.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.26 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.4 -45.25 84.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.061 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.3 m -63.11 -47.99 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.363 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -26.51 64.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.096 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.488 ' HB ' ' SD ' ' B' ' 50' ' ' MET . 26.1 p -93.96 -10.6 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.685 0.279 . . . . 0.0 111.465 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.23 34.7 60.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.079 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.488 ' SD ' ' HB ' ' B' ' 48' ' ' THR . 2.0 mtp -130.15 175.15 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -178.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -83.5 162.51 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' B' ' 42' ' ' GLU . 9.6 mp -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.9 t -60.51 -43.63 96.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.599 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 3.8 m -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.153 0.501 . . . . 0.0 110.476 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.37 69.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' B' ' 59' ' ' LEU . 65.6 p -65.14 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.529 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.227 0.537 . . . . 0.0 110.265 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.09 -37.78 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.19 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 56' ' ' SER . 86.8 mt -62.85 -39.59 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.618 177.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.09 -42.15 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.338 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.03 85.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 99.6 mt -65.75 -34.74 78.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -69.26 -38.65 78.52 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -65.71 -37.44 86.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.76 -23.21 76.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.404 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.19 17.79 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.725 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.534 HD21 HG13 ' B' ' 18' ' ' VAL . 21.4 mt -99.1 -26.32 14.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.95 145.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.538 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 68.0 mm-40 -112.07 151.17 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.972 176.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' B' ' 79' ' ' TYR . . . -117.92 109.8 16.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.406 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -116.99 130.35 56.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.229 0.538 . . . . 0.0 109.926 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' B' ' 72' ' ' ARG . 28.6 ttt180 -100.51 140.11 35.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.009 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.52 128.71 37.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 175.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.79 -99.41 0.3 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.63 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -131.35 4.85 4.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.634 0.254 . . . . 0.0 110.872 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -106.94 141.4 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.957 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -99.13 111.3 23.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 94.4 m-85 -96.19 131.05 43.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' B' ' 70' ' ' ALA . 26.1 m-85 -104.88 146.06 29.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.965 0.412 . . . . 0.0 110.543 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 2.9 tmm_? -155.97 162.17 40.39 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.48 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 64.6 mt -53.39 131.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.171 0.294 . . . . 0.0 110.267 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.52 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -55.32 -51.89 65.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.78 -178.68 25.86 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.923 -1.132 . . . . 0.0 112.994 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.36 -32.62 73.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 0.0 110.112 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -69.11 -41.27 77.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.802 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.526 HG13 HD22 ' B' ' 67' ' ' LEU . 59.5 t -67.88 -40.02 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.21 94.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.54 ' HA ' ' HB3' ' B' ' 91' ' ' ALA . 62.4 mtt180 -86.64 -8.64 57.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.89 -50.85 46.12 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.23 -33.89 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.951 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' B' ' 88' ' ' ARG . . . -66.63 -46.85 74.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.042 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.5 -45.39 87.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.303 -176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.432 ' HA ' HG12 ' B' ' 96' ' ' VAL . 11.4 p -63.78 -29.71 48.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.14 0.495 . . . . 0.0 109.986 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.86 -45.36 78.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.131 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 87.4 t -63.71 -46.29 95.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.529 -178.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 93' ' ' VAL . 13.4 p -65.29 -31.47 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.61 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.93 -43.32 58.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.958 0.409 . . . . 0.0 109.898 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.13 -50.04 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.441 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.59 -51.19 63.78 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.345 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--N 1.326 -0.422 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.191 -174.286 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 6.1 ptt180 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -57.32 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.05 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -29.82 70.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -36.81 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 91.5 mt -74.68 -38.68 62.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.955 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.45 -41.74 97.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.056 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.18 -42.86 91.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.89 -44.92 88.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.38 -44.78 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.33 79.04 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.913 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -58.16 -45.84 86.73 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.85 -50.35 80.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.56 84.6 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.035 -0.603 . . . . 0.0 112.4 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.57 -38.08 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.11 -20.67 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -3.85 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.581 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' C ' HD22 ' A' ' 24' ' ' ASN . . . -83.49 21.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.585 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.527 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -117.74 145.96 44.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.39 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.86 -60.27 1.09 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.68 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 26' ' ' ARG . 17.4 mtp180 -70.5 -19.53 62.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.875 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -74.1 -22.4 59.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.877 0.37 . . . . 0.0 110.594 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 88.2 mt -69.85 -21.77 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.96 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.537 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.6 mt-30 -58.64 -35.74 72.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.928 0.394 . . . . 0.0 110.402 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 58.6 mt -70.82 -42.6 77.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.623 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.04 -38.59 83.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.69 -47.62 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.365 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 79.9 mt -60.39 -38.9 85.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.9 mt -77.17 -19.86 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.245 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.49 -27.37 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.351 0.596 . . . . 0.0 109.715 174.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.23 -40.03 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.573 175.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.18 164.9 35.65 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.244 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 1.3 pm0 -77.69 109.13 11.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.267 0.556 . . . . 0.0 110.094 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 88.5 mtt180 -111.13 144.19 40.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.322 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 77' ' ' GLN . . . -72.33 152.58 42.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.245 176.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.66 -45.35 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 O-C-N 123.608 0.567 . . . . 0.0 111.366 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HG2' HD11 ' A' ' 52' ' ' LEU . 42.1 mt-10 -63.58 -41.07 98.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.25 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.801 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.3 -43.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.335 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.44 63.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.857 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.7 m -58.3 -48.53 80.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.59 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.25 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 p -84.02 -17.6 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.705 0.288 . . . . 0.0 111.386 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.85 26.84 40.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.87 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.9 mtm -118.76 170.88 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.63 164.58 14.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD11 ' HG2' ' A' ' 42' ' ' GLU . 4.4 mm? -57.17 -43.25 82.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.515 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 t -57.36 -39.15 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.346 . . . . 0.0 111.079 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -73.94 -45.4 50.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 110.529 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -63.19 -48.66 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.328 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 43.3 p -64.81 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.374 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.81 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 0.0 110.857 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -68.58 -33.43 74.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.804 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 86.3 mt -66.92 -37.65 84.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.144 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 56' ' ' SER . 25.9 mt-30 -64.78 -34.25 77.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.102 176.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 -29.37 62.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.741 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.865 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 97.3 mt -86.03 -8.03 58.22 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 68' ' ' VAL . 24.8 tptp -78.04 -69.61 0.54 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 168.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -47.46 -49.9 24.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.157 -174.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.9 25.92 3.32 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.04 -1.076 . . . . 0.0 112.417 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.865 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -111.47 -22.56 6.05 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 119.719 -1.229 . . . . 0.0 112.054 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.66 ' HB2' HG11 ' A' ' 86' ' ' VAL . 6.8 mt 78.32 36.0 0.23 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.985 -0.607 . . . . 0.0 111.683 168.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 81' ' ' ILE . 35.1 m -120.01 160.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 174.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -120.73 166.45 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.2 126.31 43.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.331 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.54 129.59 52.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.553 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 41.9 mtm180 -93.66 130.93 39.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.321 0.582 . . . . 0.0 112.233 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 31.7 tt0 -112.77 97.81 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.814 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.88 -98.79 0.37 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.359 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 m -103.64 -18.27 14.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 111.227 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -100.59 152.23 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 112.015 -172.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.553 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 51.4 mt-30 -108.83 121.57 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.439 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 22.5 m-85 -104.67 126.44 51.76 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.445 ' O ' HD22 ' A' ' 34' ' ' LEU . 15.6 m-85 -100.96 146.19 27.71 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.662 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.11 153.49 34.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.225 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.554 HD13 HG12 ' A' ' 68' ' ' VAL . 31.7 mm -59.67 132.28 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.61 85.92 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.7 162.96 28.3 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.394 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -29.51 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.352 0.596 . . . . 0.0 109.495 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' OD2' HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -54.2 -57.82 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.059 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 67' ' ' LEU . 60.8 t -59.35 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.075 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.72 93.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -77.26 -21.97 52.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.402 HD12 HD22 ' B' ' 92' ' ' LEU . 8.0 tt -64.07 -45.03 90.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 173.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 63.8 t80 -68.38 -37.46 80.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.374 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -64.96 -38.57 91.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.857 0.36 . . . . 0.0 110.705 176.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.64 -47.39 85.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.598 ' HA ' HG12 ' A' ' 96' ' ' VAL . 34.8 m -68.09 -29.2 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.198 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 90' ' ' PHE . 53.9 mt-30 -67.42 -40.93 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.934 0.397 . . . . 0.0 110.359 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 91' ' ' ALA . 86.8 t -70.71 -46.77 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.181 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 93' ' ' VAL . 8.4 p -62.56 -29.7 47.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.868 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.52 -46.03 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.66 -47.83 79.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.877 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.479 -175.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.496 0.189 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.85 -42.24 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.35 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.202 0.525 . . . . 0.0 110.825 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.469 ' O ' HG23 ' B' ' 15' ' ' VAL . 93.5 mt -72.43 -40.83 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.985 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.99 -33.81 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.65 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.99 -46.75 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.479 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.65 -42.39 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 11' ' ' LEU . 73.3 t -60.0 -48.18 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.248 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.87 70.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.287 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.58 -38.76 74.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.973 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.746 HG13 HD11 ' B' ' 67' ' ' LEU . 95.9 t -63.42 -48.86 85.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.094 175.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.31 -34.7 90.68 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.295 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -66.29 -29.72 70.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.422 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -74.0 -32.68 63.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.043 0.449 . . . . 0.0 110.208 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tp -88.13 20.33 3.24 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.864 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.19 16.32 18.5 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.515 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 32.1 p30 -151.86 169.8 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.166 176.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.6 -46.88 4.46 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -165.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -69.99 -22.61 63.11 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 117.759 0.779 . . . . 0.0 112.111 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -76.53 -19.63 57.74 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.916 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 76.6 mt -76.5 -31.59 57.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 175.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' B' ' 48' ' ' THR . 47.2 tt0 -59.97 -35.18 74.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.323 176.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.9 mt -65.09 -47.93 85.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.132 174.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.23 -36.35 79.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.119 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.65 -43.12 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.91 -33.6 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.417 HD21 HD11 ' B' ' 44' ' ' ILE . 80.3 mt -79.45 -5.28 54.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.501 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.53 -4.7 28.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.342 0.591 . . . . 0.0 110.261 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.53 -12.04 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.441 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.28 -109.15 1.22 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.276 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.616 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 20.5 mt-10 -118.17 113.37 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.775 0.322 . . . . 0.0 110.42 -175.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' B' ' 39' ' ' ARG . 54.5 mmt-85 -120.59 146.39 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.644 0.259 . . . . 0.0 110.723 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.31 149.09 46.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.689 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.56 -37.53 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' B' ' 52' ' ' LEU . 48.5 mt-10 -60.81 -40.76 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.35 -41.24 76.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.417 HD11 HD21 ' B' ' 34' ' ' LEU . 79.6 mt -58.72 -50.31 79.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.66 177.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.27 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.395 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -65.86 -47.26 75.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 -178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -29.78 69.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.661 -176.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.464 ' HA ' ' NE2' ' B' ' 29' ' ' GLN . 23.3 p -92.4 -5.71 51.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.624 -177.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 35.58 79.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.55 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB3' ' HB ' ' B' ' 54' ' ' THR . 78.4 mtm -123.43 175.12 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.69 0.281 . . . . 0.0 110.277 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.32 169.02 11.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' B' ' 42' ' ' GLU . 4.4 mm? -62.02 -39.91 93.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -60.67 -49.75 76.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.636 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' B' ' 50' ' ' MET . 2.0 m -61.98 -45.16 94.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.42 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -60.34 -38.51 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.335 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.43 83.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.866 0.365 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -68.9 -38.07 79.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.79 -48.44 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 177.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . 0.482 ' HA ' ' HB3' ' B' ' 63' ' ' LYS . 26.0 tt0 -65.7 -26.22 67.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -176.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.06 -48.42 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.422 HD23 ' HB1' ' B' ' 21' ' ' ALA . 69.1 mt -67.11 -32.02 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.879 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HB3' ' HA ' ' B' ' 60' ' ' GLN . 88.4 tttt -64.15 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.727 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -72.49 -24.55 61.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.283 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.8 88.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.328 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.97 21.53 73.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.839 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.746 HD11 HG13 ' B' ' 18' ' ' VAL . 6.7 mp -90.3 -45.15 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.516 0.198 . . . . 0.0 111.486 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -129.06 154.74 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.71 0.291 . . . . 0.0 111.436 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.414 ' HG3' ' HB2' ' B' ' 82' ' ' ALA . 31.1 mt-10 -137.6 161.77 35.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.094 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.47 143.46 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.271 0.558 . . . . 0.0 111.84 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.823 ' HB3' ' HB2' ' B' ' 78' ' ' TYR . 21.4 ttt180 -116.97 105.79 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.976 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.04 98.51 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -117.71 115.58 25.33 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.93 -102.12 1.39 Allowed Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.9 t -130.24 -4.09 4.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.001 0.429 . . . . 0.0 110.621 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -104.66 156.27 18.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.055 0.455 . . . . 0.0 111.219 -174.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -105.27 113.44 27.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.823 ' HB2' ' HB3' ' B' ' 71' ' ' ARG . 77.2 m-85 -90.95 157.13 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.607 171.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -130.78 140.76 50.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.616 ' HD2' ' HG2' ' B' ' 38' ' ' GLU . 15.0 ptm180 -144.34 162.07 37.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.84 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.65 129.86 31.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' B' ' 69' ' ' GLU . . . -53.13 -70.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.749 0.656 . . . . 0.0 111.907 -172.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.22 157.59 15.88 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.686 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -70.22 -25.04 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.22 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' B' ' 67' ' ' LEU . 25.7 t -66.41 -38.87 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.177 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.21 99.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.501 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.17 -29.35 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.951 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.32 -44.79 95.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.386 . . . . 0.0 109.974 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.46 -42.25 98.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.545 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.31 -38.49 81.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 89' ' ' LEU . 6.6 tt -61.41 -50.5 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.361 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.0 -32.23 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.306 . . . . 0.0 110.581 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -61.4 -43.98 97.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.147 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 91' ' ' ALA . 62.2 t -57.37 -53.42 44.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.852 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.13 -46.71 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.96 -54.12 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.489 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -69.62 -48.88 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.471 -175.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.4 p80 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.8 -176.575 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.7 ttm105 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.272 0.558 . . . . 0.0 110.062 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -70.2 -33.1 71.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.112 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.04 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.264 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.37 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.206 0.527 . . . . 0.0 110.722 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.2 mt -73.2 -41.61 63.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.415 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.43 -28.93 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.27 -42.68 99.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -64.24 -41.32 97.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' LEU . 90.3 t -62.16 -52.13 63.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.96 0.409 . . . . 0.0 110.522 177.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 22' ' ' LEU . . . -63.66 -28.05 69.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.713 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -63.65 -40.76 97.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.552 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG13 HD11 ' A' ' 67' ' ' LEU . 84.2 t -64.26 -48.72 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.092 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.39 99.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.161 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -65.51 -27.56 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.6 0.36 . . . . 0.0 111.07 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.05 -11.59 43.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.679 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.0 -10.68 24.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.903 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.77 55.34 2.68 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.688 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.4 t-20 -170.83 110.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.488 176.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.19 78.26 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.407 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -60.94 -38.73 86.89 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.922 0.361 . . . . 0.0 111.756 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 24' ' ' ASN . 9.3 ptp180 -80.28 -24.28 40.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 69.8 mt -73.85 -13.43 60.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -176.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.73 -33.17 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.58 -42.9 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.278 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 34' ' ' LEU . 77.3 mt -66.52 -30.77 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.907 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.9 -36.86 84.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 110.089 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.12 -36.48 47.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.679 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 2.7 mm? -70.21 -27.3 64.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.845 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -17.36 64.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.101 0.477 . . . . 0.0 110.835 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -83.31 -22.74 32.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.315 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.16 -175.43 30.86 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.101 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -72.18 127.04 31.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.133 0.492 . . . . 0.0 110.295 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -119.33 143.32 47.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.738 -173.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -77.5 148.79 35.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 77' ' ' GLN . 57.4 t -53.34 -39.11 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 111.079 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 42.9 mt-10 -61.75 -49.3 76.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.132 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -62.21 -48.99 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.75 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.363 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -57.48 -51.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.71 99.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 23.1 p -81.65 -11.99 58.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.73 36.2 37.99 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.674 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.412 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 23.5 ptp -132.68 175.16 9.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.693 0.246 . . . . 0.0 110.639 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.51 164.84 21.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.79 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 92.0 mt -61.18 -44.22 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -67.18 -31.79 72.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.818 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.7 m -71.27 -45.79 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.237 0.541 . . . . 0.0 110.358 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.49 89.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.077 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.6 p -67.96 -26.89 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.23 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.17 87.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.206 0.527 . . . . 0.0 110.271 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -67.05 -42.9 84.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.078 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.66 -36.29 78.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.732 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.55 -41.94 95.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.157 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.18 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.951 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.84 -28.45 65.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.212 0.53 . . . . 0.0 110.475 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -71.33 -45.36 63.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.321 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -72.24 -26.88 62.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.35 -25.6 74.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.781 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.09 21.82 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.901 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.575 HD11 HG13 ' A' ' 18' ' ' VAL . 10.1 mp -96.28 -41.5 8.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.51 155.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.308 0.575 . . . . 0.0 111.912 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.54 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 47.7 mt-10 -110.98 168.38 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.642 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.428 ' HB1' HE21 ' A' ' 77' ' ' GLN . . . -126.83 122.53 34.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HB3' ' OE2' ' A' ' 73' ' ' GLU . 17.0 mtp180 -123.96 123.09 39.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.415 175.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -97.06 105.99 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 71' ' ' ARG . 35.7 mm-40 -100.6 104.06 15.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.571 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.87 -112.18 4.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.885 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m -104.44 -13.38 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.965 0.412 . . . . 0.0 110.707 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -102.33 145.51 29.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.518 -176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.428 HE21 ' HB1' ' A' ' 70' ' ' ALA . 35.9 tt0 -105.89 130.9 53.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.062 0.458 . . . . 0.0 109.935 177.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -112.84 148.56 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.196 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -120.56 139.9 52.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.374 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -142.74 163.03 33.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.401 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.65 135.47 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.54 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.24 -38.32 68.34 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -174.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -169.49 173.71 43.8 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.988 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.09 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.532 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.05 -47.52 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.2 t -66.07 -40.37 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.28 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.641 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -66.21 -32.47 73.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.753 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.8 tp -59.68 -49.38 77.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.378 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.53 -36.8 85.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.477 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -69.65 -40.69 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.1 -38.65 69.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.266 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.69 -29.89 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.055 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.32 -43.16 99.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.709 174.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 57.5 t -54.4 -52.96 34.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.076 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.457 176.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.588 HG22 HG22 ' B' ' 86' ' ' VAL . 46.4 t -53.84 -47.27 63.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.897 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' HB1' ' CG ' ' B' ' 14' ' ' GLN . . . -60.14 -50.35 74.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.379 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.9 -43.78 91.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.523 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 95' ' ' VAL . 32.3 mm-40 . . . . . 0 N--CA 1.464 0.275 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.95 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.027 0.441 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.311 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.21 74.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.317 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.09 -32.59 69.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.46 . . . . 0.0 110.48 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.99 -37.24 61.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.571 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.01 -14.73 59.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.822 0.344 . . . . 0.0 110.792 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 7.3 tp60 -76.05 -45.8 32.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.74 -27.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.143 0.497 . . . . 0.0 109.948 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -36.44 82.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.281 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' B' ' 14' ' ' GLN . 39.7 ttt180 -62.03 -38.2 87.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.537 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.37 -50.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.04 -29.46 74.44 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.294 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.76 -39.7 94.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.039 0.447 . . . . 0.0 110.087 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -26.6 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 110.561 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -92.71 21.95 5.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.089 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.26 13.85 33.79 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -170.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.623 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 1.6 p30 -142.78 162.87 34.33 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.734 -0.604 . . . . 0.0 110.173 172.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.66 -48.86 6.01 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -166.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -82.02 -10.63 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -166.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HG2' ' OD1' ' B' ' 24' ' ' ASN . 22.6 ptt180 -91.82 -9.17 44.44 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 118.986 -1.085 . . . . 0.0 109.957 172.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 85.6 mt -73.15 -27.76 61.84 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.89 -31.09 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.081 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 63.2 mt -69.75 -39.37 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 177.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.99 -41.15 97.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.497 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.21 -33.08 74.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.452 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.447 HD22 HG12 ' B' ' 44' ' ' ILE . 10.4 tt -77.27 -28.19 53.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.025 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.584 HD12 HG11 ' B' ' 68' ' ' VAL . 82.2 mt -95.18 -6.93 40.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.314 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.66 -8.92 51.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.147 0.499 . . . . 0.0 110.484 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.86 12.82 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.584 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.16 176.01 14.14 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.982 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.464 ' C ' ' HD2' ' B' ' 39' ' ' ARG . 0.9 OUTLIER -91.57 125.24 36.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.154 0.502 . . . . 0.0 110.623 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.464 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -129.04 150.88 50.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.07 156.71 23.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 t -49.64 -37.79 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 123.6 0.562 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.1 -50.41 74.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.686 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.85 79.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.125 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.7 mt -57.43 -50.5 76.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.28 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.262 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 61.7 m -62.27 -47.6 83.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.72 74.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.679 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -88.19 -7.99 56.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 111.723 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.23 36.56 45.0 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.685 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptp -130.72 178.88 6.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.767 0.283 . . . . 0.0 110.341 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -87.32 154.14 20.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.65 -42.41 88.33 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.573 0.225 . . . . 0.0 111.565 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 28.8 m -66.28 -36.74 83.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.973 0.416 . . . . 0.0 110.337 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -64.48 -47.14 80.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.291 0.567 . . . . 0.0 110.191 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.891 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -62.46 -33.55 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.91 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.13 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.43 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -64.73 -39.92 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.489 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.37 -35.57 81.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.089 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -64.0 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.182 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.76 -45.75 81.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.579 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.35 -36.27 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' B' ' 70' ' ' ALA . 40.1 ttmt -64.46 -44.47 90.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.0 m -67.31 -32.66 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.407 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.95 -17.15 79.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.414 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 20.62 49.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.92 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.51 -40.59 18.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.584 HG11 HD12 ' B' ' 34' ' ' LEU . 27.4 m -133.21 150.27 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 111.731 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -106.09 149.19 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.876 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.409 ' HB2' ' HE2' ' B' ' 63' ' ' LYS . . . -102.93 128.69 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 0.0 110.819 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.65 108.34 11.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.742 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' B' ' 72' ' ' ARG . 48.6 mtt180 -83.76 131.31 34.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 112.52 9.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.59 -102.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.994 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -113.3 -17.24 12.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.188 0.518 . . . . 0.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . 0.529 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 72.3 mtt180 -98.88 146.57 25.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.16 0.505 . . . . 0.0 111.861 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -100.42 107.88 19.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.529 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 97.4 m-85 -92.12 146.59 23.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.267 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.488 ' HB3' HD13 ' B' ' 34' ' ' LEU . 42.8 m-85 -122.01 143.04 49.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.192 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 18.9 ttm-85 -145.09 154.78 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.487 HD13 HG12 ' B' ' 68' ' ' VAL . 43.8 mm -51.67 134.09 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.11 62.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.284 -173.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.33 152.46 24.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.0 -31.94 73.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.067 0.434 . . . . 0.0 110.251 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -35.7 81.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 96' ' ' VAL . 36.1 t -69.8 -37.33 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.174 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 110.205 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.04 -25.26 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.993 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.53 -35.16 79.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.317 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.514 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.99 -43.17 75.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.837 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 60.6 tp -57.47 -51.23 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.216 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.513 ' HA ' HG12 ' B' ' 96' ' ' VAL . 10.5 p -66.47 -29.4 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.651 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.01 -45.94 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.176 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 85.0 t -66.26 -45.65 89.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.216 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 93' ' ' VAL . 8.0 p -61.44 -32.86 54.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.589 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.34 -46.31 28.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.021 0.438 . . . . 0.0 110.588 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.74 -37.41 84.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -85.09 -41.64 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.459 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 m170 . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -171.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 . . . . . 0 N--CA 1.457 -0.119 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -55.33 -28.7 55.45 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.275 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.91 69.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.118 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.4 71.85 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.088 0.471 . . . . 0.0 110.618 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.407 HD21 ' HG3' ' B' ' 94' ' ' GLN . 10.5 tt -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.54 -26.08 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.538 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.1 -50.75 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.765 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.506 HE21 HG23 ' A' ' 18' ' ' VAL . 23.1 tp60 -67.26 -40.61 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.374 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -59.68 -44.56 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.26 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.707 ' HA ' ' O ' ' B' ' 23' ' ' ALA . . . -62.23 -35.74 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.115 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.609 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 37.7 ttm105 -73.21 -32.33 64.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.725 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 67' ' ' LEU . 70.1 t -73.29 -47.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.19 175.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.17 -41.67 99.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.686 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -59.75 -39.11 83.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 110.538 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.82 61.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.117 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.55 -32.67 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.282 0.563 . . . . 0.0 110.3 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.34 101.16 4.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -162.93 -67.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.73 176.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 -85.24 0.38 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.349 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -73.15 -28.34 62.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HD3' ' OD1' ' A' ' 58' ' ' ASN . 50.7 ttp85 -70.24 -15.81 62.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.288 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.0 -17.48 60.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.169 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.34 -24.86 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 109.982 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -69.97 -36.87 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.961 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.13 -34.97 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.9 -30.79 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' HG2' ' A' ' 39' ' ' ARG . 6.9 tt -79.45 -45.14 19.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.955 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.27 -11.23 60.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.46 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.01 -14.61 62.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -82.15 -20.42 37.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.149 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.96 -155.18 23.68 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.626 ' HG3' ' HB3' ' A' ' 80' ' ' ARG . 26.9 tt0 -86.91 115.79 24.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HG2' HD21 ' A' ' 33' ' ' LEU . 6.6 tpt180 -125.97 147.97 49.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.804 -171.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 156.11 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.041 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.42 -41.16 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.827 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 1.8 mp0 -58.74 -45.71 89.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.344 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.04 97.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.876 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.4 -48.98 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.547 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.69 -50.89 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.088 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -59.66 -49.04 79.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.093 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.09 77.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -81.33 -19.52 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.228 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.87 15.97 57.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.328 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -114.32 176.4 5.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.679 0.275 . . . . 0.0 110.532 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -88.15 168.85 12.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.39 -46.65 87.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.805 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 t -67.31 -28.26 67.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 110.436 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -71.45 -46.19 60.64 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.382 0.61 . . . . 0.0 109.933 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.8 77.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 p -66.24 -31.11 71.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.48 96.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.522 ' OD1' ' HD3' ' A' ' 27' ' ' ARG . 34.9 m-80 -72.37 -35.37 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.424 HD23 HD12 ' A' ' 62' ' ' LEU . 78.9 mt -65.1 -36.98 86.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 176.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.883 176.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.56 91.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.764 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.424 HD12 HD23 ' A' ' 59' ' ' LEU . 87.3 mt -63.44 -41.62 98.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.723 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -68.87 -36.28 77.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.547 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.8 m -63.78 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.609 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -77.73 -26.81 60.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.039 175.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.97 21.04 11.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.519 HD11 HG13 ' A' ' 18' ' ' VAL . 1.4 mp -94.49 -40.45 9.88 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 m -123.77 163.41 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.278 0.561 . . . . 0.0 112.171 -174.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -126.69 172.8 10.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.868 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -144.9 132.66 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.858 0.361 . . . . 0.0 111.021 -177.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' HD3' HH11 ' A' ' 71' ' ' ARG . 59.6 mtt-85 -124.64 121.78 35.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.034 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -81.0 96.76 7.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 174.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -109.83 129.61 55.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.01 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.68 -101.14 0.97 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.441 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 m -131.86 1.82 3.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 0.0 110.485 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 42' ' ' GLU . 57.0 mtt180 -119.27 168.79 10.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.036 -175.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -102.66 122.55 44.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.713 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 55.6 m-85 -108.3 124.99 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 27.1 m-85 -100.52 148.05 25.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.266 0.555 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.626 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . 6.2 ptm180 -144.75 169.85 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.938 -175.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.11 140.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 39.26 0.46 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 143.13 138.25 3.4 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.93 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.66 -30.05 70.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 110.149 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.1 -34.7 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.492 . . . . 0.0 109.948 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.0 -35.5 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.868 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.46 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -72.73 -20.33 61.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.67 -49.54 74.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -66.55 -37.47 85.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.44 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.95 -44.84 91.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.45 -51.25 70.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.896 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.09 -30.14 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 110.925 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -69.35 -40.59 77.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.331 . . . . 0.0 110.207 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.1 t -63.19 -47.19 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.431 176.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.67 -39.66 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 176.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.1 78.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.767 177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.61 -48.52 74.57 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.122 0.487 . . . . 0.0 110.741 -176.63 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' B' ' 12' ' ' LEU . 18.1 ptpt . . . . . 0 N--CA 1.461 0.079 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.798 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.73 -30.36 62.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 110.278 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 15' ' ' VAL . 9.9 mp -74.26 -41.55 61.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 8' ' ' LYS . 89.2 mt -62.54 -35.87 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.351 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 21.3 t70 -63.39 -43.02 98.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.487 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.07 -45.21 94.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.953 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 11' ' ' LEU . 86.9 t -59.42 -39.52 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.299 176.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.55 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 57.3 mtt180 -65.37 -42.31 92.85 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 109.964 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 67' ' ' LEU . 91.3 t -62.09 -42.92 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.662 174.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.28 -26.47 71.66 Favored Glycine 0 C--O 1.221 -0.697 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.014 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.96 -30.83 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.299 0.55 . . . . 0.0 110.859 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' B' ' 62' ' ' LEU . . . -77.05 -42.06 39.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 109.913 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.483 ' HB2' HD21 ' B' ' 67' ' ' LEU . 33.0 tp -90.15 19.54 4.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.242 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 16' ' ' ALA . . . -69.01 -81.18 0.04 OUTLIER 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.53 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.412 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . 29.8 p30 -146.88 178.78 8.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.145 0.498 . . . . 0.0 111.762 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.66 173.91 30.83 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.345 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -70.89 -3.17 17.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.99 0.424 . . . . 0.0 110.672 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.565 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 76.9 mtm180 -58.55 -35.6 72.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' B' ' 31' ' ' LEU . 66.1 mt -66.65 -33.44 75.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.854 177.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -66.75 -36.29 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.677 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.5 HG12 HG21 ' B' ' 48' ' ' THR . 67.2 mt -66.23 -39.65 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.263 177.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 28' ' ' LEU . 96.0 mt -56.58 -46.74 80.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.193 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 19.9 t70 -62.0 -41.38 97.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.497 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.401 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 30.6 tp -63.6 -33.42 75.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.456 HD12 HG11 ' B' ' 68' ' ' VAL . 69.3 mt -85.49 -19.2 31.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.403 . . . . 0.0 111.024 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 -26.66 60.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 109.848 174.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 74.8 mt-30 -69.52 -27.95 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.672 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.88 171.87 33.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.288 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.51 ' HG3' ' HB2' ' B' ' 80' ' ' ARG . 25.3 tt0 -75.37 125.6 29.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.401 ' NE ' ' HG ' ' B' ' 33' ' ' LEU . 26.9 ttm-85 -135.06 137.23 42.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.128 0.49 . . . . 0.0 111.468 -171.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -77.78 151.83 33.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.687 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.43 -46.67 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 O-C-N 123.484 0.49 . . . . 0.0 112.099 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.438 ' HG2' HD21 ' B' ' 52' ' ' LEU . 38.3 mt-10 -58.53 -41.91 86.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.371 . . . . 0.0 111.117 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.02 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.7 mt -58.92 -51.66 69.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.28 177.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -56.08 -49.23 74.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.366 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -60.98 -48.82 80.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.434 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -33.59 76.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 0.0 111.777 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . 0.5 HG21 HG12 ' B' ' 30' ' ' ILE . 28.3 p -86.03 -15.33 41.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.455 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 19.85 67.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.45 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 75.3 mtm -115.57 152.26 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -72.81 158.45 35.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.438 HD21 ' HG2' ' B' ' 42' ' ' GLU . 8.0 mp -54.35 -35.52 62.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -64.52 -46.13 84.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.156 0.503 . . . . 0.0 110.671 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 18.7 m -66.72 -45.74 77.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.94 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -52.95 63.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.197 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -56.39 -49.69 73.74 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.284 0.365 . . . . 0.0 111.224 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.01 -43.44 77.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 111.423 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 46.4 m-80 -73.5 -36.65 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.416 HD21 HG21 ' B' ' 30' ' ' ILE . 87.9 mt -64.6 -42.79 95.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.736 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.68 -33.26 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.3 -48.97 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.747 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.469 ' HA ' ' HB1' ' B' ' 21' ' ' ALA . 70.7 mt -60.75 -37.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.18 177.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -68.67 -35.95 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.157 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 53.0 m -70.22 -23.39 62.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.42 -13.2 74.03 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.918 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.43 22.36 47.81 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.305 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.631 ' HA ' HG11 ' B' ' 86' ' ' VAL . 8.7 mp -86.27 -48.49 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.87 0.367 . . . . 0.0 111.082 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.456 HG11 HD12 ' B' ' 34' ' ' LEU . 33.5 m -126.91 155.32 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.655 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -119.32 167.3 12.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.06 111.75 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.862 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -97.1 107.61 20.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.711 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -91.62 102.69 15.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.736 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.33 107.05 13.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.316 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.81 -115.02 4.82 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.444 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -106.55 -6.95 17.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 0.0 110.176 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -98.14 136.84 37.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.679 -173.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -103.75 109.95 21.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.486 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.428 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 97.1 m-85 -93.5 122.19 35.68 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.056 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.04 133.63 47.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.172 0.51 . . . . 0.0 110.272 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.546 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 1.5 tmm_? -151.19 156.1 40.23 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.546 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 33.7 mm -51.13 128.2 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.307 0.379 . . . . 0.0 110.646 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.04 89.61 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.507 -173.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.83 147.77 19.23 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 34.6 tt0 -62.86 -33.44 75.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.03 0.415 . . . . 0.0 110.335 -176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . 0.577 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 6.7 m-20 -62.48 -31.94 72.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.631 HG11 ' HA ' ' B' ' 67' ' ' LEU . 61.7 t -65.93 -43.19 92.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.161 0.505 . . . . 0.0 109.779 175.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.41 91.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.33 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.577 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 97.8 mtt180 -61.33 -39.84 92.01 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.146 176.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.55 -47.23 82.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.686 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . 0.413 ' HA ' HG12 ' B' ' 93' ' ' VAL . 89.2 t80 -64.52 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.586 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.415 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.86 -39.86 87.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.287 177.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.545 ' O ' HG23 ' B' ' 96' ' ' VAL . 52.3 tp -62.9 -53.53 52.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.518 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' B' ' 90' ' ' PHE . 11.5 p -64.66 -26.85 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . 0.407 ' HG3' HD21 ' A' ' 11' ' ' LEU . 8.0 tt0 -61.25 -46.9 88.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 109.81 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' B' ' 99' ' ' GLU . 60.9 t -68.63 -42.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.293 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 92' ' ' LEU . 95.0 t -61.77 -15.58 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.366 0.603 . . . . 0.0 110.942 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -85.96 -56.84 3.28 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.723 173.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.55 -44.7 77.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -170.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -92.05 -13.72 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.938 -172.328 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 120.967 0.413 . . . . 0.0 110.455 -177.213 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 . . . . . 0 N--CA 1.451 -0.398 0 CA-C-O 120.446 0.165 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.91 -29.15 69.42 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.532 0.206 . . . . 0.0 111.12 -174.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 13' ' ' ASP . . . -57.46 -29.31 64.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.509 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.62 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' B' ' 98' ' ' ASP . 4.2 mm? -69.75 -51.5 33.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.828 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.92 -19.98 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.36 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 25.8 t70 -65.57 -43.34 90.12 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.847 175.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.527 ' HB2' ' HB1' ' B' ' 97' ' ' ALA . 4.7 mm-40 -67.69 -45.61 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.962 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.86 -39.76 58.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.398 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.54 -54.4 47.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.581 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.37 -34.84 75.16 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.804 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 14' ' ' GLN . 96.5 t -64.71 -50.0 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.905 0.383 . . . . 0.0 110.238 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.05 -34.32 86.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.356 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -68.82 -35.61 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.634 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.98 72.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.0 0.429 . . . . 0.0 110.211 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -35.62 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.987 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 100.4 3.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.322 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.32 -41.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.264 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 82.07 -53.18 4.72 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.05 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.33 -43.55 92.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.725 0.297 . . . . 0.0 111.108 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -72.29 -15.62 61.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD12 ' HA2' ' A' ' 25' ' ' GLY . 80.4 mt -76.03 -14.14 60.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 111.016 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.72 -25.45 67.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.174 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 69.9 mt -69.44 -48.74 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 67' ' ' LEU . 96.1 mt -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.44 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.13 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.85 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 52.6 tp -72.88 -33.86 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.624 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 73.9 mt -79.77 -12.92 59.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.968 0.413 . . . . 0.0 110.958 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.58 -18.88 61.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.029 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.8 pt20 -100.49 6.83 44.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.15 0.5 . . . . 0.0 110.149 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.07 156.37 7.12 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.293 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 38' ' ' GLU . 8.2 pt-20 -71.47 131.88 43.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 139.35 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 -170.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -66.57 159.49 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.155 177.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.39 -52.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.607 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.22 -37.6 83.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.795 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.48 84.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.515 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.98 -44.48 98.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.32 82.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.971 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.4 m -61.99 -47.52 84.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.63 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.652 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -85.79 -14.18 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.33 . . . . 0.0 111.534 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.52 25.5 63.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.185 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.8 mtm -110.55 175.84 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.432 ' HB2' ' OG1' ' A' ' 54' ' ' THR . 0.9 OUTLIER -80.63 160.68 24.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.83 -35.49 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -60.28 -46.82 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.245 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 51' ' ' ASN . 3.0 m -62.47 -46.44 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.62 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -61.33 -56.09 24.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.113 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -60.53 -36.09 77.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.736 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.93 96.48 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.943 0.402 . . . . 0.0 110.842 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -73.19 -35.08 66.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.813 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.2 mt -61.46 -45.07 95.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.718 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -64.82 -37.32 87.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.626 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.38 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.037 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 67' ' ' LEU . 87.8 mt -65.45 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.716 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 m -69.17 -25.2 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.836 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.89 -11.66 61.42 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.171 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.32 25.48 28.38 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.693 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 62' ' ' LEU . 3.9 mm? -90.86 -48.25 7.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.23 157.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 112.065 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.871 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.96 159.99 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.969 179.203 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.38 129.67 52.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.232 0.539 . . . . 0.0 111.869 -174.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -109.0 117.2 33.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.358 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -89.44 115.78 27.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.015 0.436 . . . . 0.0 111.272 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -132.7 99.3 4.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.62 173.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.77 -129.07 27.11 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.919 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -87.6 -5.17 58.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -107.42 141.47 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.568 . . . . 0.0 111.746 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -114.17 117.56 31.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.506 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 89.0 m-85 -89.51 125.91 35.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.385 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 31.6 m-85 -99.77 145.5 27.63 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.449 0.642 . . . . 0.0 110.348 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.486 ' HE ' ' HB3' ' A' ' 69' ' ' GLU . 31.4 ptt180 -144.4 170.54 15.82 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.734 -173.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.82 127.96 31.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 172.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.871 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -53.17 -46.96 69.16 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.386 0.429 . . . . 0.0 111.891 -172.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.86 159.5 27.62 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.808 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -22.0 65.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.305 0.574 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.47 -48.69 78.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.423 174.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.72 -35.67 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.464 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.4 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.921 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -75.71 -24.95 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.446 HD11 HG22 ' B' ' 93' ' ' VAL . 9.3 tt -65.38 -45.75 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.559 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 60.5 t80 -64.15 -41.61 97.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.009 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.6 -36.64 84.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.728 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.11 -48.55 73.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.526 ' HA ' HG12 ' A' ' 96' ' ' VAL . 26.6 m -65.33 -28.72 45.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.672 0.273 . . . . 0.0 111.018 -177.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.654 ' HA ' HD21 ' B' ' 11' ' ' LEU . 55.9 mt-30 -64.28 -46.08 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.32 . . . . 0.0 110.166 175.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.2 t -65.58 -50.26 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 93' ' ' VAL . 12.3 p -63.02 -30.76 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.703 0.287 . . . . 0.0 111.492 -175.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' HB3' ' HG ' ' B' ' 11' ' ' LEU . . . -84.99 -46.21 11.42 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.371 -0.206 . . . . 0.0 111.491 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.569 ' HB2' HD12 ' B' ' 11' ' ' LEU . 14.0 t70 -76.67 -41.19 46.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -173.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -170.6 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.44 93.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.171 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.19 -28.23 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 94' ' ' GLN . 7.0 tt -68.08 -51.06 50.77 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.562 ' HA ' HG22 ' B' ' 15' ' ' VAL . 84.8 mt -63.32 -34.42 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.74 -42.39 99.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.822 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.443 HE21 ' HB1' ' A' ' 97' ' ' ALA . 24.4 mt-30 -73.66 -43.46 59.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.741 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' B' ' 12' ' ' LEU . 33.4 m -69.89 -28.01 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.94 -33.06 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.493 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 56.0 ttp180 -63.27 -44.37 95.3 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.082 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 96.7 t -60.8 -51.85 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.27 -30.23 76.91 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.405 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -64.76 -35.19 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.92 0.39 . . . . 0.0 110.37 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.451 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -77.27 -29.36 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 91.2 mt -72.9 -35.34 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.3 92.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.731 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -176.01 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.932 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 -55.7 4.41 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.795 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.418 ' HD3' ' H ' ' B' ' 26' ' ' ARG . 0.1 OUTLIER -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 -175.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.78 -13.29 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.975 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.1 -18.82 62.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -65.02 -28.32 69.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.69 -47.08 90.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.945 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.847 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.44 -45.89 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.835 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.06 -43.91 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.561 HD12 HG11 ' B' ' 68' ' ' VAL . 54.0 mt -78.17 -5.97 53.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.884 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.78 4.01 54.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 110.177 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -113.92 8.58 17.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.816 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.92 -160.05 26.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.599 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.54 127.72 54.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -123.25 142.34 51.03 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.176 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.416 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -72.27 155.28 40.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.964 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.75 -42.1 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.442 0.464 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.553 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.4 mt-10 -60.58 -41.2 94.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.096 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.21 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' B' ' 79' ' ' TYR . 72.1 mt -59.43 -45.26 93.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.401 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.05 -52.52 64.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.732 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.0 m -60.18 -48.7 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.5 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.95 76.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.137 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -87.04 -21.51 26.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.663 0.268 . . . . 0.0 111.396 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.49 66.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.074 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.1 mtm -107.66 123.6 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -56.28 155.87 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.212 0.32 . . . . 0.0 111.079 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -45.67 -47.5 15.02 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.6 m -60.26 -45.4 93.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.009 0.433 . . . . 0.0 110.929 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -67.37 -40.96 85.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.742 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.94 -50.47 70.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . 0.537 ' HA ' HD12 ' B' ' 59' ' ' LEU . 21.0 p -66.43 -26.38 67.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.379 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.87 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.925 0.393 . . . . 0.0 110.258 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -69.5 -37.05 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.473 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' B' ' 56' ' ' SER . 92.8 mt -58.97 -46.71 87.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.679 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -62.95 -37.53 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.893 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.54 94.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.451 HD23 ' HB1' ' B' ' 21' ' ' ALA . 90.8 mt -71.63 -35.92 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -68.02 -36.77 80.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 45.5 t -64.65 -28.57 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.447 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.493 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -75.16 -27.75 63.49 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.745 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.49 20.87 11.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.136 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.63 -54.18 4.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.156 0.503 . . . . 0.0 111.302 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.561 HG11 HD12 ' B' ' 34' ' ' LEU . 32.3 m -115.55 164.66 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.147 0.498 . . . . 0.0 112.001 -173.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.55 172.86 10.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.924 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.89 129.81 24.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.24 155.44 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.757 0.313 . . . . 0.0 110.556 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.412 ' HD2' ' HG2' ' B' ' 77' ' ' GLN . 19.8 mmm180 -91.75 133.54 35.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.073 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -139.89 97.35 3.23 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.51 -108.12 2.36 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.642 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 39.6 m -104.27 -22.3 13.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.895 0.378 . . . . 0.0 111.025 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -109.98 157.64 19.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 0.0 111.627 -172.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.412 ' HG2' ' HD2' ' B' ' 72' ' ' ARG . 53.5 mt-30 -99.25 143.77 29.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.187 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.29 129.99 56.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.327 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.539 ' HB2' HD11 ' B' ' 44' ' ' ILE . 28.5 m-85 -101.16 151.5 21.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.142 0.496 . . . . 0.0 110.99 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.511 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 33.4 ttm180 -161.67 164.26 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.511 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 49.1 mm -59.35 140.49 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 173.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.15 -47.63 62.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.49 -171.43 38.03 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.395 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -37.96 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.805 0.442 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . 0.482 ' OD1' HG23 ' B' ' 86' ' ' VAL . 0.4 OUTLIER -52.77 -65.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.858 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.482 HG23 ' OD1' ' B' ' 85' ' ' ASP . 63.4 t -63.64 -34.01 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.242 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.3 78.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.707 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -73.12 -21.79 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.13 -60.1 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -59.49 -36.2 75.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.075 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.626 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -59.37 -49.71 76.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.344 . . . . 0.0 110.592 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 89' ' ' LEU . 76.9 t -64.11 -41.82 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.043 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -24.39 60.88 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.626 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 91' ' ' ALA . 42.4 t -65.93 -50.34 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.532 0.206 . . . . 0.0 110.909 176.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -21.78 28.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.331 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . 0.527 ' HB1' ' HB2' ' A' ' 14' ' ' GLN . . . -88.39 -15.51 35.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.395 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 26.4 t70 -92.94 -65.38 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -1.78 52.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -169.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.372 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.603 0.239 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -34.23 77.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.355 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.51 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.5 67.82 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.11 -50.35 48.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.883 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.81 -28.19 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.99 -40.93 95.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.24 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.442 HE22 ' HD2' ' A' ' 17' ' ' ARG . 24.1 tp60 -69.92 -40.51 75.51 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.237 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.11 -41.99 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' B' ' 24' ' ' ASN . . . -60.03 -42.69 94.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.06 177.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 23.0 ttm-85 -61.03 -38.41 86.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.674 0.273 . . . . 0.0 110.929 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG13 HD11 ' A' ' 67' ' ' LEU . 76.5 t -70.42 -50.02 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.72 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.05 97.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.074 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.96 -32.29 73.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.869 0.366 . . . . 0.0 110.684 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.73 50.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.427 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.54 -35.62 60.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.52 103.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.325 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -175.76 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.911 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 103.66 -53.96 0.7 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.337 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -70.75 -37.65 73.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -67.56 -17.78 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD12 ' HA2' ' A' ' 25' ' ' GLY . 89.7 mt -72.39 -33.93 67.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.129 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -67.68 -30.13 69.58 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 109.793 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.512 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.1 mt -67.52 -44.35 86.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.984 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 62' ' ' LEU . 96.0 mt -61.79 -39.22 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.48 -40.15 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.975 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.51 -43.88 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 58.3 mt -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.197 -176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -9.68 58.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.673 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -104.21 4.21 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.33 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.04 154.91 6.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.664 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.75 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 8.4 pt-20 -75.26 126.44 31.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.224 0.535 . . . . 0.0 110.556 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -121.26 151.12 40.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 150.75 42.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.69 -41.81 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.11 -43.04 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.072 177.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.34 -40.84 57.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.822 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -57.29 -49.95 78.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.533 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.91 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.903 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -60.57 -49.47 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.31 86.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.428 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 27.2 p -84.44 -14.46 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 0.0 111.559 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.67 35.63 16.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.736 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.428 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 24.0 ptp -134.1 178.25 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -99.02 162.98 12.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.651 0.262 . . . . 0.0 110.61 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.459 HD21 ' HG2' ' A' ' 42' ' ' GLU . 8.7 mp -61.68 -37.98 86.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.535 -175.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.8 m -57.35 -49.43 76.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 111.172 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -69.13 -46.5 67.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.937 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.4 78.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.343 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -65.76 -36.51 83.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.805 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.89 85.73 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.355 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.97 -46.19 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.237 176.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 79' ' ' TYR . 87.5 mt -61.75 -40.65 95.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.948 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.14 -41.51 98.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.15 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 0.0 110.388 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.408 HD13 HD21 ' A' ' 31' ' ' LEU . 80.0 mt -64.62 -38.78 92.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.337 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.37 -43.16 86.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.6 m -68.62 -27.07 65.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.934 0.397 . . . . 0.0 110.721 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -71.65 -30.47 66.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.456 171.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.16 18.3 10.6 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.434 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 18' ' ' VAL . 10.9 mp -89.18 -45.18 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.33 155.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -117.9 164.7 14.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.104 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.44 129.33 49.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.005 0.431 . . . . 0.0 111.296 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -106.18 111.68 24.4 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 72' ' ' ARG . 43.5 ttm105 -83.85 97.76 9.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 109.657 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.98 103.57 13.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.39 -114.86 7.06 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.849 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -108.12 16.29 23.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.428 0.633 . . . . 0.0 110.278 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -120.87 146.14 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.213 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -110.97 115.79 30.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.011 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.1 m-85 -102.42 139.08 38.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.933 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' HD22 ' A' ' 34' ' ' LEU . 26.9 m-85 -118.48 146.26 44.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.024 0.44 . . . . 0.0 111.185 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.75 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 10.3 ttp180 -159.21 160.83 35.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.211 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.97 129.4 13.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 O-C-N 123.201 0.313 . . . . 0.0 110.483 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.79 -59.47 4.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.136 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -127.18 170.27 18.91 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.784 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.81 -29.61 70.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.21 0.528 . . . . 0.0 110.144 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.651 ' HB2' HG22 ' B' ' 96' ' ' VAL . 2.0 p-10 -58.3 -49.1 78.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.345 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 67' ' ' LEU . 58.1 t -66.96 -40.61 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.86 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.75 90.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.678 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 45.9 mtp180 -68.49 -35.11 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.756 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.04 -52.53 64.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.185 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.74 -35.52 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.66 -43.33 80.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.706 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 96' ' ' VAL . 61.9 tp -58.17 -55.47 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.51 -30.97 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.0 -46.62 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.308 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 91' ' ' ALA . 91.2 t -62.44 -41.82 93.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.791 0.329 . . . . 0.0 110.304 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 92' ' ' LEU . 84.7 t -56.62 -53.38 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.472 176.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.58 -49.06 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.782 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 11' ' ' LEU . 35.1 t70 -60.19 -53.88 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.42 -174.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--N 1.327 -0.395 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.897 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.9 tttp . . . . . 0 C--O 1.234 0.25 0 CA-C-O 121.203 0.525 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.33 67.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.526 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.97 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 98' ' ' ASP . 2.6 mm? -73.81 -42.82 60.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.822 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.05 -33.9 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.524 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 12.4 t70 -62.67 -47.35 84.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 176.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.78 -45.52 82.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.004 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.38 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.077 0.465 . . . . 0.0 110.292 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.541 ' HB1' ' HE3' ' B' ' 20' ' ' LYS . . . -62.61 -39.49 93.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.757 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 55.1 mtt180 -58.43 -45.7 87.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 110.645 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.112 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.02 94.12 Favored Glycine 0 C--O 1.223 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.541 ' HE3' ' HB1' ' B' ' 16' ' ' ALA . 93.3 mttt -67.95 -37.73 81.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.173 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -78.07 -42.29 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 0.0 110.646 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.527 HD23 HD22 ' B' ' 28' ' ' LEU . 0.5 OUTLIER -92.28 26.11 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.71 -78.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.405 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.624 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 3.8 p-10 -165.22 167.63 17.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.636 -174.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.57 20.8 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.055 170.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.429 ' O ' HG13 ' B' ' 30' ' ' ILE . 9.2 mtm180 -65.43 -22.53 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.118 -0.541 . . . . 0.0 111.346 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.2 -39.05 71.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.197 0.522 . . . . 0.0 110.469 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.527 HD22 HD23 ' B' ' 22' ' ' LEU . 16.8 mt -78.91 -29.14 44.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.704 -175.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.17 -34.33 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.449 HG21 HD21 ' B' ' 59' ' ' LEU . 68.1 mt -64.55 -45.05 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.25 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.07 -42.4 94.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.82 -28.55 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.3 tp -79.68 -38.52 33.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 82.0 mt -71.63 -17.41 62.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.43 -5.38 42.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.2 0.524 . . . . 0.0 110.563 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -96.78 1.93 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.98 -129.06 3.63 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.761 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . 0.511 ' HB2' ' HD2' ' B' ' 80' ' ' ARG . 35.7 tt0 -133.22 117.27 17.22 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -131.1 146.24 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.837 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.655 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -74.77 154.46 38.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 77' ' ' GLN . 41.2 t -51.96 -42.76 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 O-C-N 123.484 0.49 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.01 -47.1 81.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.517 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.45 89.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.0 mt -60.75 -49.75 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.369 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . 0.533 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -58.41 -47.27 84.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.176 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.6 m -61.15 -49.57 76.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.007 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.86 88.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.904 -176.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 18.0 p -80.8 -17.51 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.785 0.326 . . . . 0.0 111.65 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 35.35 49.29 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -174.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.533 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 28.0 ttp -125.39 143.26 51.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -75.41 155.81 35.99 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.473 -0.091 . . . . 0.0 110.972 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.16 -47.26 45.87 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -60.04 -46.86 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.072 0.463 . . . . 0.0 111.143 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . 0.454 ' HB ' ' HG3' ' B' ' 50' ' ' MET . 3.7 m -67.55 -43.5 80.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.18 -52.17 60.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.771 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.4 p -61.86 -36.69 81.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.676 0.274 . . . . 0.0 111.135 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.11 87.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.668 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.403 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.8 m-20 -66.16 -37.21 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.772 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.449 HD21 HG21 ' B' ' 30' ' ' ILE . 78.6 mt -64.08 -42.6 96.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.159 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.66 -36.49 78.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.644 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.74 79.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.624 HD23 ' HB1' ' B' ' 21' ' ' ALA . 81.8 mt -62.83 -39.33 94.03 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.705 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' B' ' 68' ' ' VAL . 50.2 tttm -65.37 -46.34 80.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 37.8 m -67.42 -25.76 66.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.086 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.79 -29.14 67.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.577 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.99 11.38 30.17 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.743 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.581 ' HA ' HG21 ' B' ' 86' ' ' VAL . 10.8 mp -82.93 -48.25 10.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.51 -175.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' B' ' 81' ' ' ILE . 28.2 m -132.59 156.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.379 . . . . 0.0 111.168 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -122.43 166.0 15.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.251 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.81 136.27 49.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' B' ' 71' ' ' ARG . 35.5 ttt180 -117.56 145.66 44.12 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -128.81 125.51 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.013 -0.675 . . . . 0.0 112.311 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.433 ' HB2' ' HE2' ' B' ' 78' ' ' TYR . 70.5 mt-10 -122.12 108.95 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.742 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 -97.51 0.94 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.765 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -129.59 2.95 5.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.695 0.284 . . . . 0.0 110.967 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -94.56 130.9 40.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 111.003 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . 0.422 ' O ' HG23 ' B' ' 41' ' ' VAL . 52.0 tt0 -102.21 109.14 20.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.849 -178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.655 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 72.6 m-85 -92.44 151.91 19.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.274 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -125.6 148.05 49.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.484 173.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . 0.511 ' HD2' ' HB2' ' B' ' 38' ' ' GLU . 55.3 ttt180 -163.61 156.82 18.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.649 -177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.512 ' HA ' HG12 ' B' ' 68' ' ' VAL . 63.4 mt -58.34 131.69 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.56 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.102 -173.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.86 156.79 21.29 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.395 -0.907 . . . . 0.0 113.255 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -58.14 -34.02 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.998 0.519 . . . . 0.0 110.578 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.78 -50.64 65.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.484 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . 0.581 HG21 ' HA ' ' B' ' 67' ' ' LEU . 60.1 t -69.55 -41.68 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.941 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . 0.491 ' HB2' HG21 ' B' ' 81' ' ' ILE . . . -60.9 -46.29 91.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.968 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -71.63 -29.01 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.044 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 tt -69.37 -47.42 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.43 -35.67 81.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.055 0.455 . . . . 0.0 110.16 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.484 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.04 -44.45 80.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.1 tt -60.7 -49.24 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.66 -30.85 51.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 110.707 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.91 -41.09 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.3 t -62.28 -40.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.343 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 85' ' ' ASP . 98.6 t -55.47 -46.53 78.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.733 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.26 77.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.042 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.92 -34.96 78.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -76.65 -49.89 15.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.311 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 . . . . . 0 C--N 1.33 -0.247 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.8 ttm180 . . . . . 0 C--O 1.226 -0.167 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -62.0 -44.58 96.43 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.003 0.43 . . . . 0.0 110.09 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.29 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.151 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . . . -72.97 -21.48 60.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.248 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 92.6 mt -73.77 -47.34 39.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.002 0.429 . . . . 0.0 109.983 177.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' B' ' 28' ' ' LEU . 89.3 mt -66.82 -33.22 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.559 0.695 . . . . 0.0 109.589 176.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.448 ' HB3' ' HA ' ' A' ' 10' ' ' ALA . 7.3 t70 -64.72 -38.92 92.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.475 173.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -67.09 -49.07 66.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.998 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.513 HG12 HG22 ' B' ' 93' ' ' VAL . 33.7 m -67.24 -27.07 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.355 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -61.67 -42.2 98.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.496 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG13 HD11 ' A' ' 67' ' ' LEU . 60.5 t -66.35 -50.42 67.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.404 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.92 -31.06 79.55 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.598 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.54 -44.27 87.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.623 0.249 . . . . 0.0 110.842 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -26.58 63.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.244 0.545 . . . . 0.0 110.413 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 tp -74.36 -31.02 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.761 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 16' ' ' ALA . . . -78.01 16.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -169.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -89.56 -34.32 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.033 0.444 . . . . 0.0 110.008 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -65.56 2.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.378 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -68.34 -22.88 64.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.172 0.486 . . . . 0.0 111.24 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB3' HD21 ' A' ' 62' ' ' LEU . 98.9 mtt180 -71.78 -20.58 61.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.122 0.487 . . . . 0.0 110.016 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -80.48 -25.02 39.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.555 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -65.26 -33.23 75.49 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.224 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 62.0 mt -65.06 -44.36 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.086 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.424 HD11 HD23 ' A' ' 67' ' ' LEU . 91.8 mt -63.29 -41.38 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 177.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.7 -37.56 71.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.629 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.523 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 51.8 tp -77.1 -44.87 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.26 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 75.4 mt -73.88 -3.23 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.712 0.291 . . . . 0.0 111.677 -175.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.23 65.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.331 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 10.7 pt20 -84.24 -16.67 42.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -175.29 23.89 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -82.49 131.24 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.346 0.573 . . . . 0.0 110.366 -178.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -115.16 147.87 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.21 150.7 47.76 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.2 t -52.6 -40.64 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HA ' HD11 ' A' ' 52' ' ' LEU . 4.0 tm-20 -59.35 -44.03 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.455 177.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.87 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.063 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.94 -49.58 78.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.018 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.06 62.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.147 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 m -61.98 -46.06 90.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.5 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.38 66.53 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.0 p -95.63 -11.31 27.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.366 . . . . 0.0 111.449 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.44 35.27 29.84 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.158 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -125.32 158.27 34.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.1 159.47 30.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.874 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mm? -56.16 -42.06 76.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 p -67.56 -47.17 70.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.014 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 m -61.72 -48.37 81.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.967 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.53 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.087 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.5 m -59.79 -38.21 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.692 0.282 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.54 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' HD22 ' A' ' 58' ' ' ASN . 1.0 OUTLIER -79.89 -37.32 35.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.675 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.85 -46.57 87.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.284 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.68 -32.41 74.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.35 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.393 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 27' ' ' ARG . 80.5 mt -65.97 -33.33 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -69.99 -34.4 73.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.839 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.5 m -69.97 -26.04 63.91 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.116 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.49 -16.34 73.84 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.831 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 21.42 49.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.439 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.535 HD11 HG13 ' A' ' 18' ' ' VAL . 9.5 mp -91.52 -33.52 15.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.62 152.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 0.0 111.525 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.675 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 1.8 tm-20 -124.47 177.34 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.384 176.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.23 113.54 18.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 111.523 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -109.22 109.0 19.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.724 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -90.98 139.37 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.041 0.448 . . . . 0.0 111.045 -176.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -135.29 115.65 13.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.399 -0.818 . . . . 0.0 108.96 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.82 -112.51 4.13 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.515 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -113.3 -4.94 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.167 0.508 . . . . 0.0 110.512 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -100.87 146.48 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 7.9 tt0 -113.15 123.6 50.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.059 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 27.7 m-85 -103.66 136.85 42.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.156 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -107.15 140.63 39.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.038 0.447 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.41 ' HB2' ' HA ' ' A' ' 38' ' ' GLU . 14.7 ttp85 -152.92 161.46 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -46.48 130.55 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 O-C-N 123.463 0.477 . . . . 0.0 110.406 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.675 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -56.21 -36.07 68.01 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.58 0.55 . . . . 0.0 112.392 -171.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -164.34 169.78 39.28 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.084 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.88 -23.33 67.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.849 0.356 . . . . 0.0 110.308 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -57.45 8.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.136 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.4 t -70.14 -35.74 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.6 77.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -71.09 -30.8 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.49 -49.82 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.72 -36.82 84.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.47 -46.1 81.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.603 176.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 96' ' ' VAL . 48.9 tp -63.02 -48.91 76.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.373 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.72 -28.75 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.624 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.55 -43.16 90.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.7 t -59.07 -41.81 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.619 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 92' ' ' LEU . 61.8 t -53.63 -48.27 59.96 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.058 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.15 -47.75 33.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.49 -61.78 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.521 -172.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -171.136 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt . . . . . 0 N--CA 1.462 0.156 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.25 75.98 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -33.24 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 15' ' ' VAL . 4.0 mm? -74.7 -39.48 61.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.384 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.24 -37.02 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.16 -36.91 84.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.143 0.497 . . . . 0.0 110.168 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.661 HE22 ' HD2' ' B' ' 17' ' ' ARG . 26.0 tp60 -67.21 -39.29 86.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.565 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 11' ' ' LEU . 68.8 t -66.89 -38.57 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.206 0.527 . . . . 0.0 109.947 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . . . -63.18 -39.66 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.779 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.661 ' HD2' HE22 ' B' ' 14' ' ' GLN . 20.4 ttm-85 -60.6 -51.9 67.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.451 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.41 -31.44 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.58 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.96 87.02 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.581 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -63.49 -45.93 88.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.592 0.234 . . . . 0.0 110.647 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.05 -31.43 72.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -73.31 -26.85 61.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.16 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.38 64.85 5.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . 0.528 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 41.8 t30 -173.71 110.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 171.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' B' ' 29' ' ' GLN . . . -54.66 -35.9 58.19 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.647 -176.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' B' ' 26' ' ' ARG . 0.2 OUTLIER -59.51 -37.88 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.938 0.369 . . . . 0.0 111.711 -178.331 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.545 ' HG2' ' OD1' ' B' ' 58' ' ' ASN . 22.3 mtm180 -81.36 -23.65 37.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.499 . . . . 0.0 110.041 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 81.1 mt -75.35 -22.73 57.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.656 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 25' ' ' GLY . 27.2 mt-30 -62.39 -28.65 69.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.48 . . . . 0.0 110.543 176.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.5 mt -71.8 -46.89 59.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.905 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.88 -33.8 76.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.309 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.05 -43.38 91.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.199 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 60.2 tp -70.22 -41.12 74.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.963 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 84.8 mt -66.39 -25.55 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.217 -178.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.33 62.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.539 . . . . 0.0 110.377 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -103.49 8.63 37.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.913 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.58 150.28 6.8 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.62 146.13 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' B' ' 43' ' ' ALA . 0.0 OUTLIER -143.38 158.41 43.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.45 -170.159 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -88.64 161.81 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.01 -48.34 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.463 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.25 -46.28 88.92 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.757 0.313 . . . . 0.0 110.973 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . 0.509 ' HB3' ' HG3' ' B' ' 39' ' ' ARG . . . -68.29 -38.53 81.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.0 mt -61.91 -49.71 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.97 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.957 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -63.33 -43.02 98.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.644 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.09 74.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.511 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 27.0 p -89.07 -7.92 54.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.386 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.18 35.56 60.61 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.014 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.4 mtm -122.01 169.46 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -85.61 154.42 21.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.033 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.51 -53.89 48.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -66.13 -26.81 67.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.239 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 35.6 m -74.59 -36.88 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.008 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.69 85.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.4 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 34.6 p -65.62 -32.92 74.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.48 96.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.069 0.461 . . . . 0.0 110.79 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.545 ' OD1' ' HG2' ' B' ' 27' ' ' ARG . 37.5 m-80 -68.16 -38.85 82.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.77 -36.23 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.617 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -59.75 -42.59 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.779 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.602 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.53 -33.81 69.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' B' ' 69' ' ' GLU . 23.6 tptp -68.22 -48.06 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.969 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 17.8 p -69.45 -27.56 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.283 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.21 -30.5 64.99 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.919 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 30.08 7.82 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.743 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -95.97 -30.47 13.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.541 0.21 . . . . 0.0 111.429 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' VAL . . . . . 0.435 ' O ' ' HD2' ' B' ' 63' ' ' LYS . 27.5 m -134.99 162.9 37.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLU . . . . . 0.565 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 80.6 mm-40 -123.13 173.16 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.404 173.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.86 147.79 52.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.923 0.392 . . . . 0.0 111.362 -176.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 71' ' ' ARG . 36.3 ttm180 -129.57 130.15 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -91.95 112.97 25.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.673 0.273 . . . . 0.0 110.279 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -127.67 110.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.472 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.68 4.34 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.798 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 m -104.06 -16.81 15.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.459 0.647 . . . . 0.0 110.291 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -108.19 152.18 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.177 -171.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -111.76 124.91 53.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.576 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' TYR . . . . . 0.58 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 35.9 m-85 -98.22 150.9 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.429 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -125.51 142.69 51.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -147.33 167.94 23.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.161 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.25 139.67 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 123.201 0.313 . . . . 0.0 110.171 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.565 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -62.68 -27.41 69.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -172.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.34 174.13 44.34 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.53 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 24.7 tp10 -65.65 -36.82 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 110.734 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ASP . . . . . 0.426 ' CB ' HG22 ' A' ' 96' ' ' VAL . 1.1 m-20 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.234 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.56 -36.46 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.81 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.355 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 21.9 mmm180 -65.45 -37.88 88.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.243 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.06 -52.24 66.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.35 -38.8 90.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.467 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.09 -46.3 71.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.41 -48.82 73.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 15' ' ' VAL . 8.0 p -65.02 -29.36 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 110.628 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -67.41 -40.6 85.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.184 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 91' ' ' ALA . 84.6 t -62.89 -44.92 99.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.17 176.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.43 -43.66 83.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.83 42.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.97 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.81 -47.0 77.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.745 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -63.11 -61.02 2.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.001 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -168.354 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.6 ttp . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.44 0.162 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -58.97 113.29 2.02 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.948 0.404 . . . . 0.0 111.108 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.08 -115.02 5.55 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.604 -176.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -172.69 139.71 0.94 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -94.37 106.75 18.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.309 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -96.2 8.9 42.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.849 0.357 . . . . 0.0 110.827 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -63.45 -17.28 62.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -63.91 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.167 177.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.8 -30.37 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.214 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.59 -25.22 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.0 176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' VAL . 7.9 tt -73.17 -43.79 60.91 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' B' ' 28' ' ' LEU . 86.0 mt -65.05 -32.98 74.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.255 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -57.64 -43.98 85.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.451 174.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.74 -39.36 80.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.643 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 11' ' ' LEU . 95.1 t -63.26 -44.78 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.132 0.491 . . . . 0.0 110.38 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.34 -32.18 73.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.478 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.97 -50.46 68.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.478 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -67.36 -30.68 49.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.528 178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -43.32 94.74 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.04 176.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 93.3 mttt -61.54 -35.9 79.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.387 . . . . 0.0 111.031 178.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.505 ' HB1' HD23 ' A' ' 62' ' ' LEU . . . -69.89 -42.86 72.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.773 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.758 HD21 HG12 ' B' ' 15' ' ' VAL . 10.4 tt -73.96 -36.08 64.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.291 -177.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 93.46 0.91 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.06 0.457 . . . . 0.0 111.135 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -170.48 -41.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.027 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.94 -58.73 2.45 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.555 -0.831 . . . . 0.0 112.537 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -68.96 -35.41 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.848 0.356 . . . . 0.0 110.758 -177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 58' ' ' ASN . 24.8 mtm180 -72.19 -12.11 61.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.84 0.353 . . . . 0.0 110.903 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.696 HD21 ' HG ' ' A' ' 22' ' ' LEU . 93.9 mt -76.63 -22.16 54.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.028 0.442 . . . . 0.0 109.813 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -60.96 -29.52 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.38 174.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.6 mt -71.18 -49.35 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.188 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.572 HD11 HD23 ' A' ' 67' ' ' LEU . 94.9 mt -60.57 -43.51 97.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 12.8 t70 -62.24 -38.38 89.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.748 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.5 tp -74.72 -35.14 62.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.782 -178.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.467 HD21 HD11 ' A' ' 44' ' ' ILE . 65.5 mt -76.17 -25.94 55.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.288 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.83 -16.45 64.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.278 0.561 . . . . 0.0 110.325 175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' HB2' HH21 ' A' ' 39' ' ' ARG . 64.9 mt-30 -96.58 4.18 52.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.014 177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.3 143.86 4.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.188 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.509 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 7.3 pt-20 -72.38 137.01 46.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.695 0.283 . . . . 0.0 110.434 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.434 HH21 ' HB2' ' A' ' 36' ' ' GLN . 58.9 mtt-85 -140.23 157.43 45.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.675 0.274 . . . . 0.0 111.112 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -77.46 159.42 29.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.3 t -54.91 -47.09 76.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -56.93 -41.05 77.49 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.816 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -47.59 58.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.354 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.467 HD11 HD21 ' A' ' 34' ' ' LEU . 75.5 mt -60.36 -49.51 83.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.943 -178.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.95 -53.65 55.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.306 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.8 m -62.92 -39.32 94.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.393 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.07 83.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.431 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.6 p -90.63 -6.64 54.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.986 0.422 . . . . 0.0 111.327 -178.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.48 31.66 45.07 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.654 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.4 mtm -117.02 155.07 29.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.551 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -74.17 139.08 44.21 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.236 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -55.52 -41.1 72.68 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.181 0.301 . . . . 0.0 111.655 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.4 m -60.02 -47.81 84.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.799 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 m -68.72 -36.0 77.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.582 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.05 -49.57 75.45 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.756 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 18.9 t -56.88 -38.5 72.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.166 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.85 -51.02 71.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.85 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.469 ' HB2' ' CD ' ' A' ' 27' ' ' ARG . 32.8 p30 -81.39 -21.06 39.25 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.701 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.59 -39.65 91.84 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 56' ' ' SER . 28.1 mt-30 -65.26 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.391 174.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.53 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.505 HD23 ' HB1' ' A' ' 21' ' ' ALA . 89.0 mt -71.54 -32.99 68.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.686 178.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -68.25 -46.39 70.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.488 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.0 p -65.92 -29.76 70.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.73 -32.17 77.5 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.752 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.28 15.39 17.77 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 31' ' ' LEU . 8.4 mp -86.7 -49.07 7.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.709 0.29 . . . . 0.0 111.473 -178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.7 m -124.76 156.42 33.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.155 0.503 . . . . 0.0 111.506 -176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -130.29 170.44 14.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.407 175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.76 142.77 51.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.892 0.377 . . . . 0.0 111.252 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -124.74 140.07 53.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.395 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.88 109.77 21.76 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.093 -176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.609 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 34.2 tt0 -109.05 102.68 11.64 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 174.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.16 -106.99 2.19 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.787 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.7 p -122.93 6.94 9.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.176 0.512 . . . . 0.0 110.914 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -104.18 143.3 33.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.778 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -101.74 106.33 17.33 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.785 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.609 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 75.0 m-85 -93.39 131.08 38.91 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.949 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -101.2 139.87 36.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.254 0.549 . . . . 0.0 110.618 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 28.2 ttt-85 -141.71 152.8 44.18 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.8 134.75 23.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.02 -44.92 51.57 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.382 0.426 . . . . 0.0 111.706 -173.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -159.77 170.75 36.01 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.85 -18.92 65.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.209 0.504 . . . . 0.0 110.463 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.87 -55.4 27.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.999 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.455 HG11 ' HA ' ' A' ' 67' ' ' LEU . 45.1 t -72.43 -36.21 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.593 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.246 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -69.15 -29.42 67.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.394 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.51 -44.6 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.962 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -66.19 -38.38 87.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.523 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.26 96.8 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.127 0.489 . . . . 0.0 110.119 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.729 HD22 HD13 ' B' ' 89' ' ' LEU . 7.1 tt -61.6 -52.08 65.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.711 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.452 ' HA ' HG12 ' A' ' 96' ' ' VAL . 34.6 m -63.1 -31.51 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-O 120.71 0.291 . . . . 0.0 111.269 -177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.66 -49.94 60.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.339 . . . . 0.0 110.222 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.31 -46.31 93.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.819 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 93' ' ' VAL . 10.0 p -64.34 -33.6 63.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-O 120.773 0.32 . . . . 0.0 110.677 -177.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.41 -42.21 54.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.795 0.331 . . . . 0.0 110.259 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.04 -53.02 62.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.754 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -75.1 -3.36 32.24 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -97.29 -40.91 8.52 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.476 173.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.52 -35.87 73.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.292 0.568 . . . . 0.0 109.666 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -103.31 62.38 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -78.06 91.19 4.25 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -78.11 136.74 37.93 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.099 -170.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -81.4 74.09 8.41 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 176.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -59.21 113.72 2.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.42 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -158.08 122.84 4.29 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.938 -173.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.175 -0.917 . . . . 0.0 110.016 179.044 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.08 109.52 19.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.848 0.356 . . . . 0.0 110.688 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -88.27 -66.45 1.3 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.205 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -141.9 133.63 27.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.859 0.362 . . . . 0.0 110.566 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -158.29 109.31 2.17 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.501 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -86.11 84.85 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.192 0.52 . . . . 0.0 110.603 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 49.6 ttt-85 -96.13 -23.09 16.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.349 -177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -64.62 -22.67 67.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.445 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.28 -45.28 91.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.276 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.51 -32.16 72.18 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.198 0.523 . . . . 0.0 110.919 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 15' ' ' VAL . 3.3 tm? -66.92 -36.91 83.31 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.19 -30.53 67.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.065 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.7 -43.66 98.43 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.007 0.432 . . . . 0.0 110.296 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -62.8 -40.22 96.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.701 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.758 HG12 HD21 ' A' ' 22' ' ' LEU . 81.4 t -66.35 -41.12 88.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.999 0.428 . . . . 0.0 110.693 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -62.92 -32.12 73.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.023 0.44 . . . . 0.0 110.846 177.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -63.99 -49.65 71.64 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.682 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.476 HG12 ' O ' ' B' ' 65' ' ' GLY . 16.9 m -68.7 -27.49 36.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.886 0.374 . . . . 0.0 110.066 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.58 -40.47 96.05 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 121.072 -0.585 . . . . 0.0 111.891 176.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 97.0 mttt -62.36 -40.64 97.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.91 0.386 . . . . 0.0 110.463 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.43 -34.12 76.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.539 ' HA ' HD21 ' B' ' 28' ' ' LEU . 96.9 mt -85.01 -6.84 59.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -91.91 13.39 18.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.971 0.415 . . . . 0.0 111.204 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.509 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 29.7 m-80 -118.01 102.08 8.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.89 -40.41 93.1 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.832 -0.622 . . . . 0.0 113.698 -175.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.11 -28.13 69.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.918 -178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.564 ' HB3' HD21 ' B' ' 62' ' ' LEU . 3.0 mtm180 -92.42 -20.75 20.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.752 -177.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' B' ' 22' ' ' LEU . 76.9 mt -68.14 -35.17 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.346 176.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.96 -35.48 80.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.215 0.531 . . . . 0.0 109.977 177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.15 -38.24 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.407 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.84 -40.96 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.76 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -67.64 -28.87 68.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.282 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 41.3 tp -78.75 -43.36 25.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.879 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 76.2 mt -73.67 -15.26 61.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.476 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.4 44.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.165 0.507 . . . . 0.0 110.47 176.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 -97.88 -8.18 28.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.51 165.45 12.7 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.056 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.743 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 0.0 OUTLIER -82.32 132.89 35.22 Favored 'General case' 0 CA--C 1.515 -0.365 0 CA-C-O 121.228 0.537 . . . . 0.0 110.211 178.307 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -141.07 150.21 42.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.136 -175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -73.02 155.96 39.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.029 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 43.6 t -51.31 -42.31 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.793 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -59.61 -44.68 93.33 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.664 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.29 -42.42 88.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.89 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.71 -47.74 89.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -60.35 -51.72 68.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.163 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -61.06 -45.22 95.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.361 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.16 81.71 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.671 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.0 p -86.85 -18.5 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.807 0.336 . . . . 0.0 111.368 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.94 35.12 19.68 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.951 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.4 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 76.9 mtm -123.88 156.55 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.804 0.335 . . . . 0.0 110.683 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -66.19 145.77 55.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.456 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.96 -42.65 94.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -64.21 -44.42 91.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.016 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.9 m -66.8 -40.75 88.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.647 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.82 96.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.568 177.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 55.9 m -57.74 -41.13 81.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.868 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.037 0.446 . . . . 0.0 110.531 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.551 ' HA ' HH11 ' B' ' 27' ' ' ARG . 84.9 m-20 -59.28 -46.53 88.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.897 177.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.545 HD13 ' CD1' ' B' ' 79' ' ' TYR . 83.1 mt -64.96 -42.85 94.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.165 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.41 -41.15 93.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.767 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.05 91.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' B' ' 27' ' ' ARG . 94.5 mt -63.87 -39.98 95.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.243 0.544 . . . . 0.0 110.452 178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -67.59 -35.27 78.68 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.13 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 38.9 m -69.48 -27.67 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.937 0.399 . . . . 0.0 110.688 178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.476 ' O ' HG12 ' B' ' 18' ' ' VAL . . . -80.64 -18.6 70.25 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.06 176.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.12 19.8 32.39 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.18 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.45 ' HA ' HG11 ' B' ' 86' ' ' VAL . 4.5 mm? -83.32 -46.5 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.931 0.396 . . . . 0.0 110.676 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.2 m -125.18 159.3 32.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.68 159.84 25.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.404 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.3 109.22 20.75 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.909 0.385 . . . . 0.0 110.615 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -108.58 104.37 13.67 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -100.08 128.8 46.1 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.69 -172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -135.59 127.38 29.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.789 175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.97 -115.45 6.53 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.191 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 p -115.8 11.66 15.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.992 0.425 . . . . 0.0 111.106 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.491 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 52.1 mtt180 -114.15 143.56 44.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.886 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 28.9 tt0 -108.63 104.06 13.28 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 176.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.491 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 58.3 m-85 -91.4 133.41 35.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.313 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.545 ' CD1' HD13 ' B' ' 59' ' ' LEU . 51.5 m-85 -104.59 143.16 33.43 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.036 0.445 . . . . 0.0 110.004 174.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.743 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 13.3 ttt180 -152.6 154.2 34.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.094 -0.957 . . . . 0.0 108.924 -177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.36 131.47 19.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -50.15 -44.73 52.67 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.51 0.506 . . . . 0.0 112.013 -173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -157.78 164.74 33.31 Favored Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.632 -0.794 . . . . 0.0 111.795 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.564 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 12.9 pt-20 -58.47 -32.95 69.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 110.56 178.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . 0.403 ' HA ' ' CZ ' ' B' ' 88' ' ' ARG . 2.7 m-20 -59.52 -44.08 93.27 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.953 178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.45 HG11 ' HA ' ' B' ' 67' ' ' LEU . 40.2 t -69.4 -38.74 77.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.965 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.12 95.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.642 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 41.0 mtm-85 -66.83 -30.51 70.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.687 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.729 HD13 HD22 ' A' ' 92' ' ' LEU . 65.9 tp -67.49 -50.3 59.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.516 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -62.99 -38.73 92.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.313 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.466 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.58 -44.41 94.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.473 176.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.466 ' O ' HG23 ' B' ' 96' ' ' VAL . 57.4 tp -60.08 -52.68 64.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.708 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.78 -30.9 51.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.957 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.81 -42.53 81.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.919 0.39 . . . . 0.0 109.965 176.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 91' ' ' ALA . 70.4 t -65.6 -44.7 93.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.532 176.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 92' ' ' LEU . 97.2 t -60.49 -44.6 96.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.658 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.17 -54.41 46.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.518 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -56.23 -37.21 69.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.629 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.47 -25.75 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.214 -179.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -102.06 -10.33 19.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.914 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' B' ' 101' ' ' LEU . 2.5 mm? -79.41 90.28 5.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 57.09 96.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 O-C-N 124.141 0.901 . . . . 0.0 111.312 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -77.68 -8.78 58.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.988 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 65.45 -170.74 0.19 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.754 176.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -126.01 116.55 21.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.01 0.433 . . . . 0.0 111.109 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -97.19 107.23 19.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.235 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -119.29 19.58 12.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.737 0.304 . . . . 0.0 111.683 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 . . . . . 0 C--O 1.244 0.8 0 CA-C-O 118.279 -0.867 . . . . 0.0 109.909 171.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.3 mtp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.12 -40.13 28.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.259 -178.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 86.81 -49.37 4.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.176 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 74.65 -35.68 0.3 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.69 0.796 . . . . 0.0 111.957 176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p -67.82 -28.07 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.028 0.442 . . . . 0.0 110.559 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.49 106.97 18.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.145 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' HD3' ' HA ' ' A' ' 7' ' ' ARG . 13.8 mmt180 -75.97 -19.97 58.28 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.434 174.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -55.68 -45.43 77.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.292 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.4 -47.03 82.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.769 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.3 -24.99 61.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' HG23 ' A' ' 15' ' ' VAL . 57.5 tp -76.09 -50.97 13.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 99.2 mt -65.42 -35.06 79.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.42 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -63.58 -36.34 83.48 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.238 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -69.55 -41.92 75.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.169 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.457 HG12 HD21 ' B' ' 22' ' ' LEU . 63.0 t -62.24 -42.58 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.078 176.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -67.28 -27.34 67.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.027 178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -65.17 -51.79 58.97 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.38 -40.91 87.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.639 174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.16 -39.12 94.07 Favored Glycine 0 C--O 1.224 -0.515 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.854 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 60.1 mttp -64.92 -33.36 75.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.966 0.383 . . . . 0.0 110.511 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' HA3' ' A' ' 65' ' ' GLY . . . -74.71 -19.36 60.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 176.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.03 -30.3 18.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.043 0.449 . . . . 0.0 110.444 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.16 73.6 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.118 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -139.5 -164.11 1.62 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.492 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.1 -116.22 2.96 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.153 -1.023 . . . . 0.0 112.311 177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HG2' ' H ' ' A' ' 26' ' ' ARG . 8.8 ptt180 -69.46 -3.53 14.86 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -55.49 -34.09 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.185 0.517 . . . . 0.0 110.546 169.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD13 HG23 ' B' ' 15' ' ' VAL . 67.6 mt -70.31 -16.0 62.95 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.547 -174.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.04 -32.39 73.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.282 0.563 . . . . 0.0 109.659 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.43 HG21 HD21 ' A' ' 59' ' ' LEU . 59.7 mt -69.51 -39.45 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.659 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 66.3 mt -59.94 -47.62 85.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.08 -178.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.33 -34.49 78.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.561 178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.3 tp -65.59 -39.04 91.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.643 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.3 -13.92 59.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.467 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -27.11 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.824 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.61 -25.49 53.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.993 0.425 . . . . 0.0 110.779 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 160.27 179.62 35.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.917 -0.659 . . . . 0.0 111.67 -178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -74.03 145.11 44.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.881 0.372 . . . . 0.0 110.69 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -141.71 145.09 34.46 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -80.88 150.27 29.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG11 ' HB3' ' A' ' 56' ' ' SER . 70.4 t -53.85 -42.33 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 O-C-N 123.572 0.545 . . . . 0.0 111.332 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 tm-20 -57.6 -45.44 85.31 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.279 0.562 . . . . 0.0 110.335 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.14 -43.14 68.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ALA . 78.5 mt -58.24 -50.49 78.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.79 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.95 -51.98 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.173 -178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 17.7 m -60.6 -49.71 76.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.2 -39.45 86.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.934 -176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.8 p -83.82 -18.8 36.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.652 0.263 . . . . 0.0 111.516 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.06 33.31 12.28 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.487 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 73.8 mtm -124.79 169.52 11.93 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -80.02 159.43 26.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.031 0.443 . . . . 0.0 111.516 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 86.6 mt -60.26 -52.36 65.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.015 -176.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 m -57.21 -40.72 78.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.941 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -63.09 -48.13 79.88 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.756 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.45 90.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.101 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.415 ' HB3' HG11 ' A' ' 41' ' ' VAL . 10.5 p -63.35 -36.42 83.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.33 -179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.19 -42.0 76.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.728 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 94.9 m-20 -60.77 -42.91 98.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.148 177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.602 HD13 ' CD1' ' A' ' 79' ' ' TYR . 84.7 mt -64.99 -38.77 92.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.688 -179.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.44 -31.27 71.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.754 0.311 . . . . 0.0 110.802 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -46.53 72.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 175.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 78.4 mt -62.74 -36.93 84.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.682 178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.08 -41.76 94.72 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.84 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.1 m -68.78 -20.83 64.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.658 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.49 ' HA3' ' HB2' ' A' ' 21' ' ' ALA . . . -87.8 -7.11 75.27 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.276 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.43 11.54 62.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.914 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.536 ' HA ' HG11 ' A' ' 86' ' ' VAL . 4.4 mm? -77.09 -50.73 12.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.874 0.369 . . . . 0.0 111.047 -178.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.469 HG12 ' HA ' ' A' ' 81' ' ' ILE . 27.8 m -134.09 162.43 39.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.336 -174.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -119.09 158.44 25.86 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.355 -0.384 . . . . 0.0 109.971 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.82 116.05 30.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.775 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -99.65 104.38 16.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.606 175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -100.73 107.82 19.52 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -125.08 107.7 11.06 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.222 0.534 . . . . 0.0 110.149 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.16 -121.36 7.57 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.301 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.7 t -103.57 -4.59 23.7 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.405 0.621 . . . . 0.0 109.941 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 10.5 mmp_? -101.57 138.94 37.9 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.676 -177.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -113.18 113.34 25.21 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.178 178.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 63.4 m-85 -101.29 146.6 27.33 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.602 ' CD1' HD13 ' A' ' 59' ' ' LEU . 22.7 m-85 -120.89 139.0 53.82 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.185 0.517 . . . . 0.0 110.94 175.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HD3' ' HB3' ' A' ' 38' ' ' GLU . 13.6 tpt180 -135.55 149.15 49.36 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.645 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.469 ' HA ' HG12 ' A' ' 68' ' ' VAL . 41.8 mm -54.44 127.67 13.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.79 -52.72 55.62 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.686 0.616 . . . . 0.0 111.526 -174.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -140.6 157.64 25.8 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.444 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -69.29 -16.1 63.49 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.82 -50.49 70.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.249 -0.887 . . . . 0.0 109.026 170.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.536 HG11 ' HA ' ' A' ' 67' ' ' LEU . 39.6 t -72.09 -34.08 49.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.478 -178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.62 -45.12 92.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.396 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.11 -35.65 81.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.536 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.0 tt -60.76 -63.28 1.35 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.862 -177.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -63.56 -37.54 87.71 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.485 0.183 . . . . 0.0 111.007 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -59.81 -48.73 80.5 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.317 177.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.1 tp -58.97 -49.2 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.385 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.777 HG12 HG12 ' B' ' 15' ' ' VAL . 93.1 t -54.97 -44.33 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.118 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.502 ' HG2' HD23 ' B' ' 11' ' ' LEU . 10.3 tt0 -69.88 -41.55 74.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.372 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 91' ' ' ALA . 80.4 t -65.86 -47.18 86.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.018 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.02 -39.23 77.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.994 0.426 . . . . 0.0 110.398 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' B' ' 14' ' ' GLN . . . -61.94 -44.99 95.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.841 177.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.73 ' HB2' HD21 ' B' ' 11' ' ' LEU . 16.2 t70 -62.06 -53.34 56.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.689 -178.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.26 -19.49 63.92 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.408 0.522 . . . . 0.0 112.408 -172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -106.18 -12.26 15.79 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.257 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.4 tp -78.49 -35.67 46.16 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 167.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.553 ' HB2' HH22 ' B' ' 7' ' ' ARG . 8.3 tp10 -63.47 127.5 31.59 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.773 -1.103 . . . . 0.0 109.77 172.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -121.09 160.9 22.71 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -60.65 104.15 0.32 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.886 -174.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -125.96 62.88 1.23 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.095 0.95 . . . . 0.0 110.282 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -132.91 -49.19 0.87 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.807 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -71.73 134.23 46.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.462 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 29.2 m170 . . . . . 0 C--O 1.244 0.813 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.526 176.498 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 48.0 ttm . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.85 -45.16 5.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.05 45.91 0.47 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.592 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -89.42 -20.15 24.29 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.63 0.729 . . . . 0.0 109.623 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' B' ' 6' ' ' ASP . 58.3 m -148.49 160.56 42.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.295 -0.866 . . . . 0.0 108.897 177.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.621 ' OD1' ' HG3' ' B' ' 8' ' ' LYS . 15.3 t70 72.31 128.89 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.19 0.932 . . . . 0.0 110.904 -176.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.553 HH22 ' HB2' ' A' ' 102' ' ' GLU . 55.7 mtp85 -72.32 -49.81 31.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.601 -175.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.667 ' HA ' ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -64.45 -24.01 67.48 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -172.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.54 72.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.374 173.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -82.68 -23.57 34.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.457 177.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.73 HD21 ' HB2' ' A' ' 98' ' ' ASP . 7.0 mp -65.18 -37.77 88.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.34 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.574 ' HA ' HG22 ' B' ' 15' ' ' VAL . 98.7 mt -66.31 -25.04 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.776 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -76.34 -37.63 57.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.31 0.576 . . . . 0.0 109.61 175.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 14.0 mm100 -66.08 -49.98 65.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.811 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.777 HG12 HG12 ' A' ' 93' ' ' VAL . 28.9 m -67.07 -30.42 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.016 -178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 20' ' ' LYS . . . -66.08 -36.27 82.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.037 0.446 . . . . 0.0 110.417 175.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.474 ' HD2' ' O ' ' B' ' 64' ' ' SER . 7.5 ttp180 -71.9 -48.14 47.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.499 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' B' ' 15' ' ' VAL . 32.7 m -67.69 -35.71 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.077 -178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.52 -30.63 64.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.684 177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' B' ' 16' ' ' ALA . 31.2 ttmt -65.8 -33.1 75.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.169 0.509 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.612 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -78.47 -38.06 41.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.07 177.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.882 ' HG ' HD21 ' B' ' 28' ' ' LEU . 7.8 tt -78.51 -13.12 59.99 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.582 -174.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.48 8.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.431 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 34.3 m-80 -122.55 122.11 38.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.722 0.296 . . . . 0.0 111.218 -175.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.51 -40.29 98.59 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.698 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.859 ' HA ' HE21 ' B' ' 29' ' ' GLN . 6.6 ptp85 -69.36 -14.02 62.69 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 122.615 -0.344 . . . . 0.0 111.417 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.534 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 97.4 mtt180 -93.17 -26.64 17.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.027 0.441 . . . . 0.0 110.029 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.882 HD21 ' HG ' ' B' ' 22' ' ' LEU . 96.0 mt -72.74 -31.07 64.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.221 176.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.859 HE21 ' HA ' ' B' ' 26' ' ' ARG . 46.7 mt-30 -59.57 -32.6 70.51 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.207 174.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 65.5 mt -66.31 -47.83 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.146 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.62 -41.85 98.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.61 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -63.37 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.868 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.483 ' HG ' ' HG3' ' B' ' 39' ' ' ARG . 55.1 tp -72.16 -39.4 68.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.845 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 79.1 mt -71.41 -26.11 62.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.34 -24.4 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.417 0.627 . . . . 0.0 109.998 174.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -93.7 15.38 16.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.403 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.88 153.55 7.84 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.404 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -71.47 129.5 38.93 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' HG ' ' B' ' 33' ' ' LEU . 21.1 mmt180 -127.17 149.91 49.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.94 -172.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.9 170.27 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.537 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.29 -55.06 11.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 123.451 0.47 . . . . 0.0 111.76 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.91 -40.48 84.64 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.74 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.99 -48.93 79.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -63.18 -46.13 96.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.69 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.25 96.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.332 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.0 m -67.35 -46.04 74.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.169 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.3 72.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.745 -176.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.512 ' HB ' ' HE2' ' B' ' 50' ' ' MET . 22.5 p -89.74 -11.76 41.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.654 0.264 . . . . 0.0 111.421 -178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.36 36.03 59.72 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.448 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.512 ' HE2' ' HB ' ' B' ' 48' ' ' THR . 71.0 mtm -125.51 170.62 11.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.585 0.231 . . . . 0.0 110.594 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -77.74 160.25 28.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.902 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.61 -42.92 93.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.566 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m -60.92 -48.18 83.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.583 177.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.4 m -59.62 -47.41 85.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.659 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.469 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -59.91 -44.74 94.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.987 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 54.0 m -64.95 -37.31 87.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.391 -178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.231 0.539 . . . . 0.0 110.166 176.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.534 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 93.5 m-20 -68.23 -43.52 77.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.603 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 90.4 mt -59.83 -44.44 94.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.587 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -59.62 -46.32 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.298 177.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.13 92.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.928 0.394 . . . . 0.0 111.253 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.612 HD23 ' HB1' ' B' ' 21' ' ' ALA . 98.7 mt -67.57 -32.71 73.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.697 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -76.43 -35.13 58.69 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.716 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . 0.474 ' O ' ' HD2' ' B' ' 17' ' ' ARG . 32.1 m -67.27 -28.35 67.95 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 174.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.469 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -73.72 -25.97 70.66 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.492 174.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.36 23.01 25.4 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.079 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.471 ' HA ' HG11 ' B' ' 86' ' ' VAL . 7.3 mp -91.7 -32.81 15.29 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -176.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -134.26 152.52 34.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.218 0.532 . . . . 0.0 111.997 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -131.39 163.9 26.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.732 176.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' B' ' 79' ' ' TYR . . . -136.99 163.35 30.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.093 0.473 . . . . 0.0 111.808 -175.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' B' ' 71' ' ' ARG . 9.4 ptp85 -128.73 151.3 49.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.635 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -96.07 117.04 29.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.74 0.305 . . . . 0.0 110.672 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -127.48 97.07 4.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.35 0.595 . . . . 0.0 109.939 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.85 -125.12 10.95 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -174.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 18.9 p -90.91 -14.56 31.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.033 0.444 . . . . 0.0 110.548 175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 27.4 mtp85 -94.52 158.61 15.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.669 0.747 . . . . 0.0 112.514 -174.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -131.75 127.65 37.21 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.398 178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -105.84 126.97 52.8 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.31 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.534 ' CD2' ' HB2' ' B' ' 70' ' ' ALA . 55.2 m-85 -108.23 151.78 25.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.094 -176.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 44.5 ttt85 -162.05 162.06 28.6 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 173.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.1 mt -54.06 134.62 16.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 O-C-N 123.203 0.314 . . . . 0.0 110.446 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.62 -65.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.712 -175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -115.31 149.53 18.84 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.012 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.1 OUTLIER -68.68 -27.03 65.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.732 0.301 . . . . 0.0 110.39 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . 0.406 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 31.2 t70 -71.42 -31.54 67.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.216 0.532 . . . . 0.0 109.745 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.471 HG11 ' HA ' ' B' ' 67' ' ' LEU . 52.7 t -65.71 -38.87 83.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.531 0.681 . . . . 0.0 109.364 173.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.93 -29.81 69.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.988 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 83.5 mtt-85 -65.46 -38.97 91.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.293 176.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.672 HD11 HG22 ' A' ' 93' ' ' VAL . 7.2 tt -63.76 -47.92 79.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.103 178.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -63.1 -38.73 92.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.514 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.46 -43.05 95.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.368 177.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.49 -52.5 64.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.945 -177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.497 HG23 HD11 ' A' ' 89' ' ' LEU . 10.6 p -62.73 -32.89 57.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.873 0.368 . . . . 0.0 111.012 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -69.34 -41.18 76.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.535 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 83.9 t -63.41 -44.17 98.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.435 177.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.55 -46.12 90.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.528 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' B' ' 101' ' ' LEU . . . -64.29 -45.87 86.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.145 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -63.75 -48.65 76.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.541 -176.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.241 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -93.54 -2.93 53.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.416 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' B' ' 97' ' ' ALA . 33.8 tp -64.74 -49.55 70.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.956 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -79.36 -8.47 59.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.219 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 50.1 m80 70.05 -65.5 0.31 Allowed 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.371 0.669 . . . . 0.0 111.419 178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -142.52 173.28 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.094 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.24 150.44 45.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.1 0.476 . . . . 0.0 110.837 176.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -75.44 107.64 7.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.631 -175.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -131.46 129.95 41.83 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.228 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 . . . . . 0 C--O 1.247 0.951 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.044 175.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.7 mtm . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.814 0.34 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.68 156.16 42.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.448 179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.74 -59.62 2.97 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.404 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' HB3' ' OD1' ' A' ' 6' ' ' ASP . 12.6 mt-30 60.32 101.11 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.366 0.603 . . . . 0.0 112.103 179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 m -95.27 11.77 31.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.602 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' OD1' ' HB3' ' A' ' 4' ' ' GLN . 10.3 p-10 -82.11 62.59 5.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.927 0.87 . . . . 0.0 109.532 174.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -62.13 -27.66 69.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.631 -1.168 . . . . 0.0 111.117 -176.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.1 tttm -62.3 -29.43 70.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.66 69.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 110.722 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.23 -27.33 63.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.25 0.548 . . . . 0.0 110.574 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 11.1 mp -68.9 -30.82 69.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.643 176.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.6 mt -67.99 -32.75 73.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.124 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -64.67 -38.26 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.038 0.446 . . . . 0.0 110.274 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' HB3' ' HB1' ' B' ' 97' ' ' ALA . 5.0 tp-100 -69.61 -41.27 75.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.968 178.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' LEU . 53.2 t -57.22 -41.82 78.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 174.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.85 79.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.391 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HD2' ' OE1' ' A' ' 14' ' ' GLN . 72.4 mtt85 -68.38 -32.2 72.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.459 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 62.0 t -66.99 -50.61 62.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 175.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.79 -37.15 94.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.381 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -61.77 -40.44 95.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.936 0.398 . . . . 0.0 110.316 178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . -68.1 -28.78 67.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.792 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.492 HD21 HD21 ' A' ' 67' ' ' LEU . 74.5 mt -90.2 2.84 54.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.51 -178.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.39 14.09 3.21 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -137.62 124.15 20.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.678 0.275 . . . . 0.0 110.709 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.06 -39.61 97.38 Favored Glycine 0 CA--C 1.518 0.262 0 CA-C-N 116.064 -0.516 . . . . 0.0 113.412 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.19 -24.58 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.974 0.416 . . . . 0.0 111.037 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 21' ' ' ALA . 37.6 ttm180 -80.37 -28.91 37.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.001 177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.2 mt -74.47 -22.34 59.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.265 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -61.63 -30.94 71.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.13 175.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 43.9 mm -63.96 -45.44 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.98 176.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.65 -38.63 91.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' A' ' 36' ' ' GLN . 17.2 t70 -62.84 -39.52 94.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.65 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.473 HD13 HG23 ' A' ' 44' ' ' ILE . 10.1 tt -71.28 -41.32 70.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 80.1 mt -69.14 -21.67 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.955 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.79 -13.53 60.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.179 0.514 . . . . 0.0 110.376 174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' ASP . 55.5 mt-30 -92.61 -3.97 54.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 133.31 155.42 7.74 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.037 -0.983 . . . . 0.0 111.493 -177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' HB3' ' HG3' ' A' ' 80' ' ' ARG . 9.9 pt-20 -72.26 147.63 46.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.521 ' HG3' ' HB3' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -151.55 153.32 34.31 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.304 -170.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 155.57 39.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.25 177.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.6 t -50.31 -55.68 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.437 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.509 ' HG2' HD21 ' A' ' 52' ' ' LEU . 52.7 mt-10 -61.95 -35.85 79.68 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.783 0.325 . . . . 0.0 111.151 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB3' ' HG3' ' A' ' 39' ' ' ARG . . . -67.49 -43.71 80.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.888 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.473 HG23 HD13 ' A' ' 33' ' ' LEU . 76.9 mt -61.48 -46.2 97.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.244 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.61 -52.32 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.07 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.9 m -59.34 -46.54 88.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.6 -41.79 95.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.644 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.6 p -79.39 -20.12 48.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.882 0.373 . . . . 0.0 111.407 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.65 15.88 55.91 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.233 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtm -105.44 168.47 9.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.457 . . . . 0.0 110.592 -179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -84.44 167.25 16.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.57 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.509 HD21 ' HG2' ' A' ' 42' ' ' GLU . 10.5 mp -64.08 -38.47 91.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.432 -179.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 p -59.8 -46.93 87.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.172 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 6.6 m -64.62 -46.01 84.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.786 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -62.15 -52.2 64.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.584 -178.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.548 ' HA ' HD12 ' A' ' 59' ' ' LEU . 19.3 p -62.09 -36.4 81.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.777 -175.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.63 -46.15 91.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.019 0.437 . . . . 0.0 110.699 178.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' HB3' ' HG3' ' A' ' 27' ' ' ARG . 89.9 m-20 -64.3 -36.77 85.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.687 178.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.1 mt -63.06 -49.5 74.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.949 178.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.04 -35.35 80.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.02 76.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.071 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.77 -33.08 74.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.972 0.415 . . . . 0.0 110.693 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -67.26 -41.52 85.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.331 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 37.5 m -69.64 -31.63 69.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.755 178.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.54 -21.8 74.71 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.905 174.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.41 26.87 12.69 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.427 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD21 HD21 ' A' ' 22' ' ' LEU . 11.2 mp -101.23 -47.34 4.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.707 0.289 . . . . 0.0 111.754 -177.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.1 m -117.1 152.88 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.235 0.54 . . . . 0.0 111.811 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -122.59 163.84 19.26 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.354 -0.839 . . . . 0.0 108.911 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -120.56 142.43 49.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.175 0.512 . . . . 0.0 112.053 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 71' ' ' ARG . 24.3 mtp180 -100.33 143.06 30.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.234 171.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 29.9 mtp-105 -121.86 96.68 5.16 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.981 0.42 . . . . 0.0 110.305 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.0 103.34 13.43 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.61 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.88 -107.09 1.91 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.192 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.1 t -111.89 0.86 16.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.037 0.446 . . . . 0.0 110.382 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 76' ' ' ARG . 64.3 mtt85 -97.6 139.9 32.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.155 0.502 . . . . 0.0 111.257 -177.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.469 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 28.0 mt-30 -117.84 117.2 28.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.336 176.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.9 m-85 -101.61 146.47 27.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.78 177.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 59' ' ' LEU . 35.7 m-85 -113.61 143.33 44.75 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 120.265 -0.574 . . . . 0.0 110.561 177.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.472 ' HG3' ' HB3' ' A' ' 38' ' ' GLU . 19.3 ttt180 -142.39 150.05 40.15 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.745 -170.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.443 HG22 ' H ' ' A' ' 83' ' ' GLY . 59.2 mt -67.45 129.55 32.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 172.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.63 6.68 8.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -170.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.443 ' H ' HG22 ' A' ' 81' ' ' ILE . . . 161.76 158.57 9.55 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.83 177.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 12.9 pt-20 -68.59 -15.58 63.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.881 0.34 . . . . 0.0 110.495 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -47.53 86.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.124 174.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.448 HG13 ' HG ' ' A' ' 67' ' ' LEU . 96.0 t -66.08 -41.45 89.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 175.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.46 -47.47 85.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.198 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 65.8 mtt180 -65.72 -34.39 78.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.81 -50.93 71.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -63.77 -41.9 97.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.601 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -64.98 -41.36 95.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.151 179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.463 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.6 tt -63.95 -53.26 53.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.675 -178.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.79 -31.02 52.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.895 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -64.65 -40.26 95.12 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.2 t -62.32 -42.27 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 121.046 0.45 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.562 HG21 HD12 ' B' ' 89' ' ' LEU . 60.5 t -60.85 -25.5 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.142 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 101' ' ' LEU . . . -90.96 -48.42 7.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 176.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.69 -47.68 68.74 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -171.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -58.83 -63.3 1.35 Allowed 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -169.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.672 ' HA ' ' CD2' ' A' ' 103' ' ' HIS . 24.5 p80 -80.3 -1.1 39.5 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.788 -173.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 97' ' ' ALA . 51.8 tp -54.46 -42.93 71.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 0.0 110.833 179.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -95.86 33.03 1.74 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.963 0.887 . . . . 0.0 110.471 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.672 ' CD2' ' HA ' ' A' ' 100' ' ' HIS . 13.9 m-70 -109.89 28.64 8.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 170.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.6 ' HE1' ' HA ' ' A' ' 108' ' ' HIS . 14.5 t-80 -72.52 -7.5 50.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.037 -173.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 41.4 m80 70.08 -174.62 0.18 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.415 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.439 ' H ' ' CD2' ' A' ' 106' ' ' HIS . 3.9 p80 -85.48 67.88 10.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.615 -176.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -168.52 166.21 12.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.899 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.6 ' HA ' ' HE1' ' A' ' 104' ' ' HIS . 11.2 p-80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.772 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.3 tpt . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.927 0.394 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.58 -19.74 18.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.761 -178.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.47 123.09 6.19 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.964 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 85.7 mm-40 -120.01 -1.42 10.4 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.9 m 64.8 91.69 0.08 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.729 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -61.28 111.58 1.8 Allowed 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.745 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' B' ' 7' ' ' ARG . 0.0 OUTLIER -68.61 -50.12 53.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.347 -0.842 . . . . 0.0 112.267 -165.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -78.58 -38.56 39.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.218 -178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.83 -39.7 78.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.303 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.13 76.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.935 0.398 . . . . 0.0 110.972 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 58.6 tp -70.89 -42.5 69.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.328 0.585 . . . . 0.0 109.628 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.74 -32.83 72.88 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.41 177.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -33.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.795 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.02 -43.79 74.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.831 175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.27 -41.21 86.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 121.307 0.575 . . . . 0.0 110.073 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.468 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -58.88 -37.1 75.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.934 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -62.01 -42.73 99.47 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.12 -48.97 86.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.369 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.59 -30.52 77.6 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.298 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -65.57 -34.29 77.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.89 -17.78 32.46 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.81 177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 31.4 tp -75.96 -7.63 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.352 0.596 . . . . 0.0 110.569 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' B' ' 24' ' ' ASN . . . -82.44 145.44 29.84 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.908 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.494 ' HB2' ' O ' ' B' ' 23' ' ' ALA . 0.9 OUTLIER 81.55 112.29 0.06 Allowed 'General case' 0 N--CA 1.474 0.756 0 O-C-N 124.606 1.191 . . . . 0.0 110.773 -178.223 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.96 -20.42 74.57 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.402 -0.817 . . . . 0.0 113.748 -174.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -52.41 -42.99 64.54 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.97 0.385 . . . . 0.0 112.029 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' B' ' 27' ' ' ARG . 6.0 ptt180 -90.99 -10.21 43.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.763 0.316 . . . . 0.0 111.196 -178.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 mt -74.91 -25.8 59.18 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -60.76 -29.42 69.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.146 173.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.535 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 70.7 mt -68.94 -48.74 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.492 178.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.4 mt -59.27 -37.88 78.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.212 0.529 . . . . 0.0 110.244 177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.68 -40.49 95.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.13 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 56.4 tp -71.58 -39.2 70.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.732 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 56.8 mt -75.67 -12.8 60.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.83 -15.2 59.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.253 0.549 . . . . 0.0 110.071 175.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -98.97 4.84 47.37 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.274 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.53 172.65 13.14 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.524 ' HB3' ' HB2' ' B' ' 80' ' ' ARG . 10.4 pt-20 -85.37 139.2 31.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.895 0.378 . . . . 0.0 110.585 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -134.82 157.61 46.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.352 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.432 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -74.31 153.45 39.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.964 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.29 -43.9 73.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.441 -177.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.405 ' HA ' HD13 ' B' ' 52' ' ' LEU . 3.1 mp0 -62.07 -38.33 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.713 -179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.12 -41.29 86.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.198 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.432 HG13 ' O ' ' B' ' 40' ' ' ALA . 74.6 mt -61.53 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.491 177.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.61 -36.05 77.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.255 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 40.5 m -72.09 -49.04 39.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.683 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.0 -28.81 70.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.909 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -88.03 -23.68 23.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.666 0.27 . . . . 0.0 111.429 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.5 35.61 22.42 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.501 -0.857 . . . . 0.0 112.252 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.3 mtm -126.45 161.24 28.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -62.76 140.3 58.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.834 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' B' ' 42' ' ' GLU . 61.5 tp -53.03 -52.86 57.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.01 -178.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 18.2 m -63.64 -40.82 97.85 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.89 0.376 . . . . 0.0 110.895 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.2 m -66.0 -39.92 90.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.151 0.5 . . . . 0.0 110.668 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.62 94.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.334 176.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 31.5 m -59.84 -41.08 90.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.25 95.82 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.761 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -67.24 -33.81 76.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 177.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.76 -34.41 77.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 177.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -70.02 -37.59 75.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.285 177.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -39.51 87.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.025 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.724 ' HA ' ' HA3' ' B' ' 66' ' ' GLY . 91.5 mt -75.82 -6.58 51.4 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' B' ' 63' ' ' LYS . 38.4 ttmt -80.12 -70.36 0.52 Allowed 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 169.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 11.4 p -58.48 -33.1 69.41 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -138.62 22.75 2.99 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.279 -0.962 . . . . 0.0 112.704 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.724 ' HA3' ' HA ' ' B' ' 62' ' ' LEU . . . -121.63 -20.45 3.19 Favored Glycine 0 CA--C 1.507 -0.467 0 C-N-CA 119.743 -1.218 . . . . 0.0 111.502 -179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.556 ' HB2' HG11 ' B' ' 86' ' ' VAL . 6.4 mt 76.46 43.09 0.15 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 114.731 -0.734 . . . . 0.0 112.006 168.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.563 HG22 ' O ' ' B' ' 62' ' ' LEU . 27.5 m -119.06 162.25 17.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.571 172.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.554 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 53.3 mt-10 -115.08 163.78 15.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.783 -178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.1 136.12 54.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.221 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -127.2 122.6 34.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.387 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' B' ' 72' ' ' ARG . 51.9 mtt180 -97.29 108.63 21.39 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.027 178.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -111.58 87.26 2.51 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 173.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.24 -114.18 5.33 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.432 -176.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.9 p -100.29 15.52 27.38 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.352 0.596 . . . . 0.0 110.703 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -107.83 127.72 53.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.641 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.59 HE21 ' HA ' ' B' ' 77' ' ' GLN . 0.0 OUTLIER -107.86 104.05 13.44 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.939 174.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -97.1 139.82 32.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.15 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.474 ' O ' HD22 ' B' ' 34' ' ' LEU . 13.2 m-85 -122.83 147.06 46.97 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.186 175.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.524 ' HB2' ' HB3' ' B' ' 38' ' ' GLU . 10.8 ttm180 -159.44 161.49 35.53 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 177.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.498 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 59.8 mt -56.6 138.7 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 O-C-N 123.266 0.354 . . . . 0.0 110.194 176.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.554 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -62.77 -32.01 73.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -174.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.419 ' H ' HG22 ' B' ' 81' ' ' ILE . . . -172.58 175.14 45.74 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.242 -0.98 . . . . 0.0 112.166 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 14.5 pt-20 -68.18 -21.89 64.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.961 0.41 . . . . 0.0 110.256 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -54.83 -46.64 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.583 175.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.556 HG11 ' HB2' ' B' ' 67' ' ' LEU . 21.7 t -76.48 -35.66 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.633 -178.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.39 -47.9 83.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.777 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 45.9 mtt180 -65.42 -36.69 84.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.182 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.562 HD12 HG21 ' A' ' 96' ' ' VAL . 7.2 tt -59.32 -61.17 2.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.63 179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -62.67 -36.34 82.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.964 -176.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -62.22 -49.94 73.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.595 177.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.72 -44.16 93.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.393 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 89' ' ' LEU . 69.9 t -60.33 -40.66 84.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.025 178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -67.1 -38.43 85.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.571 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 91' ' ' ALA . 98.6 t -57.06 -41.83 78.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.878 0.37 . . . . 0.0 110.611 177.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -60.18 -52.36 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.579 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 14' ' ' GLN . . . -67.42 -26.12 66.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.472 -177.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.48 -61.51 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.126 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.932 -173.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -66.81 -31.68 72.46 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.229 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' B' ' 101' ' ' LEU . 4.5 mm? -91.59 -1.33 57.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.136 0.493 . . . . 0.0 110.368 177.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -80.75 -32.31 35.62 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -72.6 113.21 9.38 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 176.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -111.39 -15.73 13.5 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -175.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -79.19 -7.02 57.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.871 0.367 . . . . 0.0 110.94 -174.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -106.92 13.09 28.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.75 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -149.36 125.22 10.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.214 0.53 . . . . 0.0 111.407 178.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 3.6 t60 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.276 -0.868 . . . . 0.0 108.865 175.567 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.743 0.306 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.01 108.25 17.92 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.108 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.03 109.51 3.37 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.013 -178.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -92.47 -32.4 14.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.947 0.403 . . . . 0.0 110.842 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 m -89.91 4.91 48.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.417 0.627 . . . . 0.0 110.322 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -105.56 28.02 7.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.761 -174.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -64.71 -34.44 78.31 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.875 -178.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -71.18 -14.02 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.571 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.3 70.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.697 0.284 . . . . 0.0 110.761 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.42 -32.07 69.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.111 0.482 . . . . 0.0 110.235 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.444 ' O ' HG23 ' A' ' 15' ' ' VAL . 87.8 mt -70.71 -35.97 73.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.769 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.59 -34.22 77.75 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -62.24 -38.24 88.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.365 175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -68.06 -35.35 78.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.385 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 11' ' ' LEU . 61.5 t -64.39 -41.39 92.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB2' ' HA2' ' B' ' 25' ' ' GLY . . . -58.69 -40.45 83.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.715 175.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 -60.56 -51.63 68.59 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.067 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.22 -29.13 41.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.535 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.49 -35.68 87.26 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.204 -0.522 . . . . 0.0 112.08 176.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.7 mtpt -63.34 -40.26 96.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.04 0.447 . . . . 0.0 110.352 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.88 -38.81 69.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.599 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' A' ' 67' ' ' LEU . 50.4 mt -88.85 26.07 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.789 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.53 2.96 6.8 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.673 176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.908 ' HB2' ' HA ' ' B' ' 16' ' ' ALA . 16.1 m120 60.93 -154.21 0.37 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.098 173.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.45 -160.08 15.19 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.2 mtm-85 -69.23 -13.3 62.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.816 0.341 . . . . 0.0 111.368 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -73.47 -10.52 59.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 110.538 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 24' ' ' ASN . 73.3 mt -73.2 -16.69 61.41 Favored 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.448 ' HB2' HG22 ' A' ' 48' ' ' THR . 76.7 mt-30 -60.14 -31.9 70.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.387 0.613 . . . . 0.0 109.595 174.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 65.1 mt -68.46 -50.95 51.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.282 176.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.41 -39.35 90.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.253 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -61.49 -41.91 98.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.246 0.546 . . . . 0.0 110.162 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 37.5 tp -69.14 -29.65 67.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.0 mt -89.42 -6.32 56.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.96 0.409 . . . . 0.0 110.983 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -84.54 -25.19 28.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.53 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.3 pt20 -84.08 -17.97 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.291 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.2 -161.92 34.84 Favored Glycine 0 N--CA 1.45 -0.43 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.764 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -96.5 133.76 40.53 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.5 ' HG2' HD21 ' A' ' 33' ' ' LEU . 23.0 tpp180 -135.24 141.22 45.72 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.071 -174.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.438 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -76.32 155.47 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.65 -46.21 79.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.868 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' HA ' HD11 ' A' ' 52' ' ' LEU . 2.8 mp0 -57.97 -41.48 83.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.868 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.31 -40.47 77.65 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.428 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG12 HD23 ' A' ' 33' ' ' LEU . 84.1 mt -59.97 -50.81 78.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.767 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.35 90.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.078 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 m -65.89 -48.66 70.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.074 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.53 -31.83 73.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.674 -177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.448 HG22 ' HB2' ' A' ' 29' ' ' GLN . 21.3 p -84.77 -20.33 31.19 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.976 0.417 . . . . 0.0 111.246 179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.02 26.19 53.71 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.222 -178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 64.7 mtm -118.16 176.33 5.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.627 0.251 . . . . 0.0 110.391 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -84.89 162.16 19.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.508 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.0 mm? -57.31 -53.33 59.37 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.346 0.403 . . . . 0.0 110.598 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 m -60.62 -35.22 75.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.262 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.9 m -69.07 -40.26 78.58 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.268 0.556 . . . . 0.0 110.437 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.62 -49.95 71.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.197 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 m -58.72 -31.47 68.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.61 86.07 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.967 0.413 . . . . 0.0 110.877 178.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.445 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 38.3 m-80 -72.77 -35.53 67.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.58 177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.475 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 90.7 mt -62.96 -42.1 99.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.889 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.3 -42.16 98.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.243 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.6 -50.97 71.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.414 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 58' ' ' ASN . 76.5 mt -60.73 -39.8 89.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.058 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -74.89 -35.21 62.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.236 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 94.3 p -67.59 -20.58 65.39 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.838 0.351 . . . . 0.0 110.386 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.24 -15.52 62.26 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.6 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.29 29.37 17.27 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.446 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.689 ' HA ' HG21 ' A' ' 86' ' ' VAL . 22.3 mt -93.99 -48.04 6.43 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.432 -178.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.76 159.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.363 . . . . 0.0 111.583 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.427 ' HG3' ' HB2' ' A' ' 82' ' ' ALA . 46.2 mt-10 -105.36 153.64 21.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.277 177.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.3 109.49 16.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.762 174.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -111.64 104.82 13.21 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 42.7 ttp85 -81.68 133.0 35.31 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 0.0 110.471 -177.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -124.35 103.32 8.14 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.62 -104.31 1.43 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.579 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.6 m -106.66 -22.14 12.84 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.788 0.328 . . . . 0.0 111.097 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.5 ptp85 -105.34 158.13 16.84 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.126 0.489 . . . . 0.0 111.326 -175.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.566 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 23.1 mt-30 -112.73 133.3 54.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.617 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -98.7 130.98 45.21 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 172.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.475 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 44.9 m-85 -111.5 149.0 31.96 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 121.044 0.449 . . . . 0.0 110.234 176.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -157.88 146.98 19.55 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.317 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 64.7 mt -58.88 126.64 16.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 69' ' ' GLU . . . -67.47 -77.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.106 0.479 . . . . 0.0 111.623 -172.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -101.42 158.01 18.83 Favored Glycine 0 N--CA 1.441 -1.002 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.322 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 9.2 pt-20 -70.07 -16.66 63.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.92 -47.2 83.55 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.813 0.339 . . . . 0.0 110.349 173.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.689 HG21 ' HA ' ' A' ' 67' ' ' LEU . 62.5 t -66.07 -45.21 91.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.565 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.2 -47.51 83.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.837 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 49.1 mtt180 -65.19 -41.16 94.82 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.521 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -63.43 -43.87 96.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.845 -177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -58.4 -48.29 81.12 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.009 0.433 . . . . 0.0 110.822 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -68.92 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.082 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 tt -62.73 -51.63 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.705 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.5 p -63.75 -31.27 52.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.999 0.428 . . . . 0.0 110.474 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -64.94 -43.68 91.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.185 176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.7 t -64.77 -41.73 93.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.768 178.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 92' ' ' LEU . 83.6 t -55.28 -51.53 54.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.6 177.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 101' ' ' LEU . . . -64.99 -31.22 72.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.009 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -70.93 -49.21 48.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.379 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -72.58 -35.21 67.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.839 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -74.89 -10.35 59.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.265 0.555 . . . . 0.0 110.263 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.544 HD23 ' CE1' ' A' ' 103' ' ' HIS . 21.6 tp -87.32 -0.79 57.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.234 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 87.07 -87.29 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.129 172.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.544 ' CE1' HD23 ' A' ' 101' ' ' LEU . 21.4 m80 65.28 19.78 11.74 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 175.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 -84.85 127.98 34.4 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 119.454 -0.898 . . . . 0.0 110.639 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 25.7 m170 52.09 34.2 13.65 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.654 177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -108.41 1.27 21.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.358 -176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 64.63 -153.47 0.29 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -175.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 49.5 p-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.234 179.453 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.76 174.23 0.25 Allowed 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.379 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.04 -43.08 1.34 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.861 -176.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -136.75 135.41 38.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m 58.82 34.44 23.7 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.979 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -83.44 -13.44 54.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.558 -172.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.84 -25.83 66.91 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -175.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -57.53 -49.68 75.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.585 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.29 83.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.321 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.577 ' O ' HG23 ' B' ' 15' ' ' VAL . 54.2 tp -72.58 -44.82 61.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.799 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.41 -35.06 76.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.551 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -64.13 -42.06 96.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.884 177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 8.3 tp-100 -68.56 -40.91 80.42 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.207 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 11' ' ' LEU . 41.6 t -62.89 -35.17 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.708 175.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.908 ' HA ' ' HB2' ' A' ' 24' ' ' ASN . . . -61.0 -33.23 72.93 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.994 177.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' B' ' 17' ' ' ARG . 2.4 tpm_? -58.9 -52.69 64.66 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.391 174.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.1 t -62.48 -47.25 93.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.016 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.594 ' HA3' ' OD1' ' A' ' 24' ' ' ASN . . . -60.92 -47.33 91.81 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.245 -176.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' B' ' 20' ' ' LYS . 31.0 mtpt -61.69 -33.87 74.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.994 0.397 . . . . 0.0 111.304 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.61 -29.97 68.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.869 0.366 . . . . 0.0 110.743 176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.552 HD21 HD11 ' B' ' 67' ' ' LEU . 97.6 mt -75.59 -22.26 57.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.112 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.1 84.62 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.236 0.541 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.427 ' OD1' ' HB3' ' B' ' 27' ' ' ARG . 9.1 p30 -158.84 151.69 22.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.532 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.544 ' HA2' ' HB2' ' A' ' 16' ' ' ALA . . . -102.04 -80.19 1.46 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.432 -0.889 . . . . 0.0 113.173 -176.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -75.6 -12.49 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.42 -176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.427 ' HB3' ' OD1' ' B' ' 24' ' ' ASN . 43.2 ttm180 -70.08 -18.1 63.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.104 0.478 . . . . 0.0 110.468 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.22 -12.82 61.07 Favored 'General case' 0 C--N 1.334 -0.084 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.515 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.33 -32.55 70.19 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.211 0.529 . . . . 0.0 109.845 174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.3 mt -66.75 -48.9 78.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.045 177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.09 -33.1 73.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.916 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 10.1 t70 -61.79 -51.48 68.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.21 0.529 . . . . 0.0 110.013 174.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.52 -38.31 89.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.4 mm? -75.25 -24.13 57.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.981 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -21.89 61.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.226 0.536 . . . . 0.0 110.348 177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 54.5 mt-30 -88.55 -12.83 41.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.713 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.78 164.5 13.29 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.628 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.8 OUTLIER -81.04 139.07 35.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.511 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -142.72 157.95 44.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.477 -177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -79.49 158.87 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.587 176.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.0 t -49.9 -43.33 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.886 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.489 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 41.1 tt0 -61.07 -39.75 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.178 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.86 -36.85 73.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.973 0.416 . . . . 0.0 110.668 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 72.2 mt -68.55 -46.99 79.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.861 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.427 ' HB3' HD23 ' B' ' 52' ' ' LEU . . . -64.69 -47.56 77.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.598 -177.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -63.17 -43.24 98.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.219 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -35.52 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.719 0.295 . . . . 0.0 111.588 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.5 p -86.53 -15.99 38.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.502 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.38 28.58 32.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.648 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 74.5 mtm -118.28 170.84 8.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.752 0.31 . . . . 0.0 110.826 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -78.5 158.54 28.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.489 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 73.5 mt -63.57 -39.75 95.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.907 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 47.7 m -67.65 -34.81 77.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.974 0.416 . . . . 0.0 110.551 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 8.3 m -69.14 -44.36 72.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.063 0.459 . . . . 0.0 110.398 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -61.61 -49.53 76.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.262 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.3 p -62.0 -36.53 81.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.547 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 -41.77 91.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.747 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -69.94 -36.51 75.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.553 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 97.1 mt -64.61 -39.38 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.408 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.75 -41.2 94.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.56 81.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.81 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.3 -34.21 77.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.753 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -69.7 -33.75 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.302 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 48.0 m -71.16 -22.53 62.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.069 0.461 . . . . 0.0 110.511 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -87.57 -10.55 70.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.311 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.91 18.23 54.7 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.708 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.552 HD11 HD21 ' B' ' 22' ' ' LEU . 3.7 mm? -83.92 -49.91 8.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 -179.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 28.3 m -126.07 155.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.03 0.443 . . . . 0.0 111.273 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -114.05 169.81 8.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.79 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.31 118.68 29.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.065 0.459 . . . . 0.0 111.44 -176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 -104.8 157.13 17.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.734 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -131.02 118.1 20.11 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.766 0.317 . . . . 0.0 110.812 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -131.27 103.96 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.141 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.89 -109.21 2.73 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.325 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.8 m -107.23 0.64 23.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.611 0.719 . . . . 0.0 109.978 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -101.83 144.47 30.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.143 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 22.7 mt-30 -116.0 108.91 16.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 173.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -94.31 124.58 38.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.632 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.86 148.65 24.72 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.518 ' HA ' HD12 ' B' ' 34' ' ' LEU . 42.0 ttt-85 -152.95 156.25 38.53 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.433 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 44.3 mm -55.47 132.19 18.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.82 -47.68 76.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.979 -174.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -146.67 167.16 28.18 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.446 -0.883 . . . . 0.0 112.468 -178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 37.8 tt0 -65.85 -33.96 77.04 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -60.04 -41.05 91.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.632 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' B' ' 67' ' ' LEU . 48.8 t -70.01 -39.66 77.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.136 0.493 . . . . 0.0 110.436 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.18 96.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 57.5 mtp180 -72.94 -24.13 60.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.512 -179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.7 tt -66.03 -45.48 81.32 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 175.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.405 ' HA ' HG12 ' B' ' 93' ' ' VAL . 91.7 t80 -61.89 -34.95 76.96 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.181 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.41 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.56 -41.62 83.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 177.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.8 tp -66.21 -46.86 75.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' B' ' 90' ' ' PHE . 10.7 p -66.31 -28.21 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.031 0.443 . . . . 0.0 110.348 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.67 -42.56 99.09 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.643 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 91' ' ' ALA . 89.4 t -62.04 -40.12 86.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.6 177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' B' ' 100' ' ' HIS . 61.2 t -64.01 -28.14 44.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.174 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -93.59 -30.7 14.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.749 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -92.51 -70.73 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.824 0.345 . . . . 0.0 111.442 -175.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -67.13 -43.11 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.337 0.589 . . . . 0.0 110.959 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.526 ' HB3' ' O ' ' B' ' 96' ' ' VAL . 39.1 t-80 -74.2 -14.65 60.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.893 -172.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.667 ' HG ' ' HG2' ' B' ' 102' ' ' GLU . 53.3 tp -84.04 -66.76 0.86 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.199 -177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.667 ' HG2' ' HG ' ' B' ' 101' ' ' LEU . 9.7 pt-20 -174.2 -153.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.103 -176.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' B' ' 102' ' ' GLU . 21.6 t-80 70.12 14.23 7.72 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 121.399 0.618 . . . . 0.0 110.643 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -86.34 -18.61 31.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.13 -177.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -119.57 5.41 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.326 0.584 . . . . 0.0 110.435 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . 0.427 ' HD2' ' O ' ' B' ' 108' ' ' HIS . 57.8 t60 -76.57 138.22 40.03 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -60.69 -34.06 73.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.531 -172.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.427 ' O ' ' HD2' ' B' ' 106' ' ' HIS . 48.7 t-80 . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.516 -0.754 . . . . 0.0 109.916 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 70.56 -58.22 0.56 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.886 0.741 . . . . 0.0 112.264 178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.87 -110.28 1.48 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.982 -177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -139.1 144.69 38.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -173.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 t -136.7 122.96 20.54 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -100.98 8.61 42.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.068 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 4.6 mmp_? -57.15 -56.43 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.071 -173.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -75.9 -33.93 59.93 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.882 0.372 . . . . 0.0 110.465 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.07 -45.43 87.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.9 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.04 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.188 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 77.1 mt -67.72 -47.25 69.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 109.972 178.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 15' ' ' VAL . 90.2 mt -69.36 -31.49 69.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.807 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.67 -44.85 76.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.707 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -65.63 -44.09 87.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.237 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.509 HG12 HG22 ' B' ' 93' ' ' VAL . 30.3 m -67.42 -32.01 55.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.011 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -70.06 -39.07 75.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 176.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -55.83 -45.32 78.37 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.46 176.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.538 HG13 HD11 ' A' ' 67' ' ' LEU . 60.7 t -62.42 -45.26 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.519 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.16 -36.45 92.39 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.982 -0.554 . . . . 0.0 112.487 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 61.3 mtpt -62.01 -37.98 86.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 110.974 178.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.82 -33.4 72.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.234 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.1 mt -85.56 -3.87 58.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.784 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.36 16.33 1.34 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.485 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.9 t-20 -142.21 118.46 10.78 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' HG3' ' A' ' 29' ' ' GLN . . . -61.43 -33.6 85.28 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.842 -0.617 . . . . 0.0 113.607 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.87 -24.35 64.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.911 0.355 . . . . 0.0 111.135 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -81.82 -31.49 31.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.389 0.614 . . . . 0.0 109.392 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 79.4 mt -71.13 -28.85 64.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.728 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 76.6 mt-30 -59.39 -33.54 71.33 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.189 0.519 . . . . 0.0 109.932 174.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.526 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.9 mt -70.32 -43.77 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.38 177.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 71.2 mt -59.1 -37.8 78.01 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.03 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.88 -49.72 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.249 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 29' ' ' GLN . 85.8 mt -58.28 -39.92 80.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.88 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 57.7 mt -76.97 -13.61 59.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.237 -177.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.98 -35.8 49.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -68.99 -37.49 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.51 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 34' ' ' LEU . . . 173.64 -173.95 45.98 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.551 -0.62 . . . . 0.0 111.551 178.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.66 144.81 35.04 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.198 0.523 . . . . 0.0 110.615 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.5 mmt-85 -137.7 131.75 31.84 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.501 -176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.503 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.28 159.34 33.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.736 173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.7 t -48.57 -41.93 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 123.471 0.482 . . . . 0.0 111.217 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -58.77 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.234 178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.39 94.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.43 -176.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.447 HD13 HD21 ' A' ' 59' ' ' LEU . 82.8 mt -61.05 -47.53 93.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.251 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.23 -51.14 71.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.139 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -61.77 -45.26 94.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.79 -25.32 66.41 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.2 p -98.45 -14.76 19.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.116 0.484 . . . . 0.0 111.181 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.04 32.78 47.76 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.95 -176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.4 mtm -118.19 172.16 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -85.46 158.4 20.21 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 178.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -57.77 -41.59 82.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.402 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -70.31 -38.98 75.04 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.956 0.408 . . . . 0.0 110.973 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.3 m -59.21 -48.53 81.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.149 175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.95 94.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.544 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.584 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 37.2 t -56.38 -47.71 78.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.622 178.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.67 -47.23 77.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.077 0.465 . . . . 0.0 110.897 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -61.49 -42.85 99.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.686 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.447 HD21 HD13 ' A' ' 44' ' ' ILE . 90.2 mt -64.63 -37.29 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.344 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 56' ' ' SER . 77.1 mt-30 -60.66 -44.51 96.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.802 0.334 . . . . 0.0 110.681 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.17 -41.68 81.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.056 0.455 . . . . 0.0 110.255 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.67 -39.07 87.05 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.668 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -69.62 -42.81 73.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.649 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 63.8 p -68.62 -22.23 64.44 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.718 0.294 . . . . 0.0 111.259 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.28 -16.49 78.71 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.412 175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.18 18.88 58.45 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.068 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.538 HD11 HG13 ' A' ' 18' ' ' VAL . 7.8 mp -89.83 -39.21 13.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 111.562 -176.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.86 158.03 41.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.009 0.433 . . . . 0.0 111.69 -176.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 38.1 mt-10 -116.19 158.27 23.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.033 176.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.94 109.45 20.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.598 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.789 ' HE ' ' HA ' ' A' ' 71' ' ' ARG . 0.7 OUTLIER -98.19 106.14 18.38 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.853 178.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -89.79 110.06 21.0 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.098 0.475 . . . . 0.0 110.052 -177.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -114.45 107.61 15.77 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.09 -116.83 5.42 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 t -110.23 -2.05 17.02 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.165 0.507 . . . . 0.0 109.976 176.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -102.11 140.09 36.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.565 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -112.98 116.47 30.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.873 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.503 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.2 m-85 -100.76 131.16 46.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.001 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -101.26 146.4 27.58 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.11 0.481 . . . . 0.0 110.339 177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -153.17 162.96 40.72 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.599 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 42.5 mm -59.92 136.3 23.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.533 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.23 -58.79 6.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.323 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.51 166.5 28.67 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.908 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -54.42 -35.95 63.47 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.465 0.306 . . . . 0.0 111.093 179.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.575 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 33.9 t70 -63.87 -38.39 90.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.027 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' ' 67' ' ' LEU . 44.2 t -67.51 -37.21 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.164 0.506 . . . . 0.0 109.73 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.39 86.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.096 176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 62.0 mtp180 -56.05 -40.78 74.03 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.51 176.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.3 tt -63.16 -51.23 67.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.498 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -66.04 -36.58 83.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.049 0.452 . . . . 0.0 110.763 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.47 -40.62 89.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 176.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 96' ' ' VAL . 57.0 tp -64.46 -48.62 74.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 -177.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -61.93 -32.0 52.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.485 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.24 -44.76 78.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.501 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 91' ' ' ALA . 92.9 t -61.96 -47.14 94.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.332 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.511 HG13 ' HB2' ' B' ' 85' ' ' ASP . 92.5 t -55.04 -45.78 76.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.081 176.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.66 -53.88 53.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.898 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -53.29 -48.87 67.99 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.617 0.573 . . . . 0.0 111.913 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -55.61 -38.05 68.94 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.6 p80 -95.51 -26.11 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.981 -0.687 . . . . 0.0 111.598 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 58.1 tp -74.54 -57.63 3.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.584 0.231 . . . . 0.0 111.134 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -83.68 82.95 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.569 0.7 . . . . 0.0 110.253 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.5 ' CD2' ' H ' ' A' ' 103' ' ' HIS . 5.5 p80 -68.28 119.94 13.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.892 173.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -65.4 129.83 41.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.962 -172.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -144.56 -0.04 0.97 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.353 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -83.29 121.55 27.27 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.945 177.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -76.49 -33.05 58.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.435 0.636 . . . . 0.0 109.353 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 . . . . . 0 C--O 1.244 0.799 0 CA-C-N 114.981 -1.009 . . . . 0.0 108.705 176.492 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 61.24 29.86 18.92 Favored 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.605 0.566 . . . . 0.0 111.306 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 93.99 -134.71 12.19 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.491 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -133.28 -2.39 3.14 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.751 0.31 . . . . 0.0 110.371 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m 71.71 -60.97 0.5 Allowed 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.398 -177.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 74.7 -14.64 0.71 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.857 0.863 . . . . 0.0 112.82 170.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -71.18 -42.44 69.03 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 -172.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -59.8 -49.95 75.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.112 0.482 . . . . 0.0 110.043 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.43 -31.07 72.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.241 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.566 ' O ' ' HG2' ' B' ' 14' ' ' GLN . . . -61.25 -37.96 84.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -69.59 -38.82 77.48 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.06 0.457 . . . . 0.0 110.098 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.33 -29.7 68.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.14 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -76.48 -35.93 58.12 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.537 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' B' ' 10' ' ' ALA . 85.3 mm-40 -64.9 -44.59 89.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.929 0.395 . . . . 0.0 110.82 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.464 HG23 HD13 ' A' ' 28' ' ' LEU . 27.6 m -71.9 -25.66 24.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.511 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.54 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -72.83 -37.96 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.218 174.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -57.72 -51.68 68.55 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.51 -33.12 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.92 -43.68 98.54 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.909 175.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' B' ' 16' ' ' ALA . 94.5 mttt -59.31 -37.53 77.98 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.849 0.357 . . . . 0.0 110.64 177.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.46 -25.78 54.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.393 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 45.9 tp -82.45 -28.38 31.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 -177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.3 78.11 2.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.712 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 22.9 t-20 -179.33 99.15 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.787 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . -61.62 -23.92 63.51 Favored Glycine 0 CA--C 1.52 0.404 0 CA-C-N 116.171 -0.468 . . . . 0.0 114.218 -172.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -71.34 -48.33 50.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.328 0.564 . . . . 0.0 111.864 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.43 ' HD3' ' OD1' ' B' ' 58' ' ' ASN . 5.3 ptt180 -82.67 -8.65 59.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.616 -0.433 . . . . 0.0 111.833 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.712 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 79.7 mt -66.27 -20.89 66.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.029 0.442 . . . . 0.0 110.218 175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.93 -29.34 69.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.345 174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.7 mt -68.48 -44.46 83.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.257 177.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.4 mt -63.13 -40.35 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.435 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.07 -36.42 77.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 53.6 tp -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.25 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.487 ' HB3' ' HA ' ' B' ' 80' ' ' ARG . 64.6 mt -82.91 -6.94 59.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.357 . . . . 0.0 111.394 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.01 -14.16 56.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.086 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 11.6 pt20 -105.87 4.02 29.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.985 -179.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.13 167.83 15.13 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.352 178.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.619 ' HA ' ' HB3' ' B' ' 80' ' ' ARG . 8.9 pt-20 -79.73 120.06 23.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.185 0.517 . . . . 0.0 110.574 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' ' 39' ' ' ARG . 23.6 mmt180 -115.8 145.25 42.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.255 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -77.73 158.87 29.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.99 -36.13 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 123.408 0.442 . . . . 0.0 111.508 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.463 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.1 mt-10 -60.47 -51.96 67.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.991 0.424 . . . . 0.0 110.533 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.56 97.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.691 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -58.78 -51.67 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.403 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -57.92 -48.0 81.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.154 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.85 -47.27 84.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.267 -177.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -26.6 66.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.997 -175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.433 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 32.5 p -98.38 -6.05 31.49 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.97 36.31 36.37 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.724 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.433 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 24.2 ptp -133.57 174.94 9.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.746 0.308 . . . . 0.0 110.698 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -90.21 158.09 17.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.317 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.463 HD21 ' HG2' ' B' ' 42' ' ' GLU . 10.0 mp -53.02 -43.71 66.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.616 -179.427 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.3 m -65.36 -40.87 94.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.675 0.274 . . . . 0.0 110.863 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 15.3 m -62.42 -44.87 95.4 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.267 0.556 . . . . 0.0 110.133 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.472 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -63.3 -48.81 76.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.729 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 26.0 t -55.59 -41.34 73.26 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.024 -178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.01 83.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.43 ' OD1' ' HD3' ' B' ' 27' ' ' ARG . 45.6 m-80 -67.77 -36.67 80.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.751 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' B' ' 55' ' ' ALA . 95.4 mt -62.92 -37.56 87.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.936 178.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.514 HE21 ' CA ' ' B' ' 60' ' ' GLN . 0.0 OUTLIER -69.11 -32.85 72.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.758 178.151 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.51 -40.93 76.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.199 0.523 . . . . 0.0 110.709 177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.2 mt -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.093 0.473 . . . . 0.0 110.587 177.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -72.73 -38.01 67.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.754 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.0 p -72.68 -28.23 62.57 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 120.796 0.331 . . . . 0.0 110.831 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.1 -23.37 77.21 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.578 171.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.01 25.5 14.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 121.226 -0.511 . . . . 0.0 112.546 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.53 HD12 HG13 ' B' ' 86' ' ' VAL . 3.1 mm? -92.88 -49.2 6.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.805 0.336 . . . . 0.0 111.546 -177.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.92 156.93 16.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.248 0.547 . . . . 0.0 112.214 -174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.419 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 38.5 mt-10 -113.83 163.97 14.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.13 174.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.77 130.51 48.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.999 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 mmt-85 -125.05 112.51 16.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.715 174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 10.9 ttm-85 -92.1 120.28 32.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -131.63 125.59 32.57 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.0 0.428 . . . . 0.0 110.28 177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.82 -101.12 1.27 Allowed Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -131.34 -1.14 3.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.888 0.375 . . . . 0.0 110.446 175.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -109.35 148.69 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 0.0 110.556 -175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -108.67 124.5 50.63 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.91 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.429 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 53.3 m-85 -99.51 126.1 45.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.039 178.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.424 ' CD1' HD13 ' B' ' 59' ' ' LEU . 53.7 m-85 -111.96 148.8 32.99 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.038 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.619 ' HB3' ' HA ' ' B' ' 38' ' ' GLU . 0.0 OUTLIER -162.04 163.36 28.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.596 -179.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 42.9 mm -56.4 129.42 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 O-C-N 123.561 0.538 . . . . 0.0 109.732 175.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.419 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -53.86 -71.71 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.664 0.603 . . . . 0.0 112.022 -175.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.46 -154.78 6.98 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.283 -177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.53 ' HG3' ' HD2' ' B' ' 88' ' ' ARG . 6.6 tp10 -59.98 -46.39 89.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.039 -0.58 . . . . 0.0 110.921 -175.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . 0.511 ' HB2' HG13 ' A' ' 96' ' ' VAL . 12.3 p-10 -56.3 -44.71 80.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.82 -176.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.53 HG13 HD12 ' B' ' 67' ' ' LEU . 54.3 t -69.36 -44.68 80.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.98 0.419 . . . . 0.0 111.178 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.97 92.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.13 -177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.53 ' HD2' ' HG3' ' B' ' 84' ' ' GLU . 55.9 mtp180 -64.52 -43.11 95.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.658 178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.21 -55.97 17.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.926 -176.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -62.81 -39.71 95.14 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.179 -176.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.526 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.07 -44.37 80.27 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.197 -178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.434 ' O ' HG13 ' B' ' 96' ' ' VAL . 49.6 tp -61.4 -46.58 89.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.118 -176.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.509 HG22 HG12 ' A' ' 15' ' ' VAL . 9.2 p -67.16 -30.45 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.675 -178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -70.26 -37.38 74.9 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 91' ' ' ALA . 73.4 t -62.99 -46.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 177.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 93' ' ' VAL . 7.5 m -65.37 -25.66 37.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.696 -178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.18 -54.02 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.826 175.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -64.11 -48.07 77.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.934 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -69.71 -24.84 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.964 0.412 . . . . 0.0 110.962 -176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' B' ' 96' ' ' VAL . 19.6 m-70 -90.21 -2.96 58.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.754 0.311 . . . . 0.0 111.171 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 5.4 tp -82.02 -15.21 54.4 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 175.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -72.87 130.67 40.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.439 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . 0.407 ' O ' ' HB3' ' B' ' 104' ' ' HIS . 8.9 t-80 -119.96 28.09 8.29 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' B' ' 103' ' ' HIS . 27.8 t-80 73.36 66.13 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.356 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -109.6 15.12 23.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.769 176.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -81.1 83.14 6.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.746 0.308 . . . . 0.0 111.248 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -165.35 102.7 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.983 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.122 -0.942 . . . . 0.0 109.667 176.117 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ptm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.35 -62.28 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.67 178.11 18.91 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 6' ' ' ASP . 50.6 tt0 -130.59 -81.67 0.54 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.927 0.364 . . . . 0.0 110.617 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 t 71.57 -33.56 0.27 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.674 0.789 . . . . 0.0 112.01 178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 4' ' ' GLN . 21.4 t70 -60.79 -15.16 26.81 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 122.914 0.486 . . . . 0.0 111.776 -176.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -57.58 -40.78 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.404 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -70.68 -32.0 69.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.311 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.98 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.458 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.64 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.1 mt -71.2 -45.26 63.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.226 0.536 . . . . 0.0 109.734 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' HB3' HD12 ' B' ' 28' ' ' LEU . 87.4 mt -67.12 -30.73 70.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.447 178.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.38 -41.06 98.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.712 178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -64.03 -42.28 97.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.067 175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.3 t -59.12 -41.53 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.442 176.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -58.94 -37.96 77.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.473 179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.0 mtm-85 -67.08 -41.77 85.78 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.311 -0.156 . . . . 0.0 111.342 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -61.86 -51.0 77.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.45 0.643 . . . . 0.0 110.023 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.9 -30.31 77.67 Favored Glycine 0 C--O 1.223 -0.585 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.305 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 51.3 tttm -67.91 -34.8 77.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 110.771 -177.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.9 -34.86 64.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.484 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.551 ' HG ' HD21 ' A' ' 28' ' ' LEU . 8.9 tt -80.55 -17.49 51.31 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.75 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.11 98.55 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -175.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.728 ' HA ' ' HB1' ' B' ' 16' ' ' ALA . 27.2 t-20 65.99 104.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.529 172.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 169.71 149.04 6.11 Favored Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.297 -0.954 . . . . 0.0 113.127 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -80.17 -4.49 53.22 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG2' ' OD1' ' A' ' 58' ' ' ASN . 96.0 mtt180 -56.86 -21.27 28.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.141 172.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD21 ' HG ' ' A' ' 22' ' ' LEU . 88.1 mt -65.21 -13.76 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.349 178.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -64.13 -25.62 68.17 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 174.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 51.5 mm -64.43 -52.59 53.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.91 -36.94 85.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.406 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.77 -46.28 87.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.488 177.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.508 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 38.4 tp -69.3 -37.34 77.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.003 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.9 mt -76.8 -16.68 59.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.999 0.428 . . . . 0.0 111.246 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.37 -14.6 61.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.222 0.534 . . . . 0.0 110.157 175.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.479 ' OE1' HD12 ' A' ' 33' ' ' LEU . 81.0 mt-30 -86.89 -24.77 24.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.594 175.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 155.79 173.76 24.81 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.8 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.566 ' HG3' ' HB2' ' A' ' 80' ' ' ARG . 44.0 tt0 -71.46 128.51 36.08 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 37.9 mmt180 -119.58 148.77 42.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.726 -175.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -82.22 156.72 24.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 77' ' ' GLN . 66.5 t -53.51 -46.05 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.729 0.3 . . . . 0.0 111.501 -177.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.64 -43.58 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.178 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.59 98.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.572 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.4 mt -60.01 -48.85 86.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.456 177.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.85 42.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.968 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.9 m -59.56 -47.82 84.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.97 -33.14 75.33 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -175.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.6 p -85.33 -16.89 38.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.86 0.362 . . . . 0.0 111.299 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.8 16.79 53.99 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.7 mtm -109.89 178.55 4.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.68 0.276 . . . . 0.0 110.376 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -105.27 169.5 8.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.83 -45.95 88.82 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 17.7 p -62.06 -48.37 80.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 0.0 111.569 -176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.4 m -66.42 -39.96 89.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.561 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -60.75 -50.19 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.684 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -60.07 -36.73 78.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.054 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.9 -47.79 76.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' OD1' ' HG2' ' A' ' 27' ' ' ARG . 40.3 m-80 -68.83 -36.7 78.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 97.6 mt -59.22 -46.51 88.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.642 176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -63.57 -44.0 95.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.008 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.55 85.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.273 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.7 mt -68.61 -28.38 66.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.996 0.427 . . . . 0.0 110.62 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.54 ' HG3' ' O ' ' A' ' 68' ' ' VAL . 56.6 tttm -72.14 -35.8 69.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.364 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 m -65.68 -32.92 74.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.255 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.26 -24.48 76.62 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.938 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.25 21.52 17.35 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.607 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.23 -42.13 14.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.431 . . . . 0.0 111.177 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 34.6 m -123.37 158.12 28.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.273 0.559 . . . . 0.0 112.16 -174.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -119.9 171.4 8.45 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.617 175.11 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.79 131.84 29.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.907 0.384 . . . . 0.0 111.876 -176.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -127.56 124.1 37.36 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 174.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.499 ' HA ' ' HA ' ' A' ' 77' ' ' GLN . 4.3 ptm180 -98.72 138.65 35.57 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.555 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -129.84 103.45 6.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.086 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.74 -105.98 1.8 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.081 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.5 m -107.97 -16.45 14.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.201 0.524 . . . . 0.0 110.096 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -94.15 158.38 15.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.702 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 64.2 tt0 -132.9 123.82 26.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.396 -179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 55.8 m-85 -100.15 135.12 42.07 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.578 -177.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -109.3 137.4 47.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.407 174.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.566 ' HB2' ' HG3' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -145.72 146.62 31.32 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -174.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.559 ' O ' ' HD3' ' A' ' 80' ' ' ARG . 52.5 mt -54.16 131.61 16.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.523 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -41.18 -47.39 3.28 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.12 177.64 37.4 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.36 -33.8 75.43 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 0.0 110.078 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.61 -46.86 77.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.109 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 82' ' ' ALA . 25.0 t -79.25 -32.74 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.5 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' HA ' HG21 ' A' ' 81' ' ' ILE . . . -63.66 -46.14 86.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.038 0.447 . . . . 0.0 110.195 177.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 88' ' ' ARG . 52.5 mtt180 -70.95 -22.78 62.17 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.019 177.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.2 tt -64.09 -48.18 77.17 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 175.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -66.75 -38.43 86.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.304 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.33 -46.44 80.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.758 177.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.0 tt -60.27 -47.87 84.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.967 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.48 -31.28 52.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.503 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 92.3 t -66.05 -42.47 91.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.232 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.599 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 73.3 t -52.91 -37.56 26.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.487 ' O ' ' HG ' ' A' ' 101' ' ' LEU . . . -82.19 -73.3 0.4 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.238 178.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -57.96 -47.66 82.26 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -169.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 95' ' ' VAL . 10.7 tp10 -72.9 -40.52 65.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.238 -174.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.599 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 23.5 m-70 -84.03 -26.12 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.732 -173.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 97' ' ' ALA . 94.1 mt -73.15 -27.5 61.7 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 172.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 67.35 163.24 0.19 Allowed 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 114.7 -1.136 . . . . 0.0 111.345 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -104.09 80.22 1.71 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.952 174.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -80.09 161.56 25.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.432 -177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.435 ' O ' ' HD2' ' A' ' 107' ' ' HIS . 35.9 t-80 -66.02 133.02 49.93 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 173.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -61.16 106.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.013 0.435 . . . . 0.0 110.886 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.435 ' HD2' ' O ' ' A' ' 105' ' ' HIS . 19.5 p80 -129.74 18.66 5.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.468 176.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 . . . . . 0 C--O 1.246 0.878 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.856 179.176 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 71.7 mtm . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.28 159.3 32.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.921 0.391 . . . . 0.0 111.27 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.85 48.8 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.405 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.401 ' HB3' ' OD1' ' B' ' 6' ' ' ASP . 31.7 mm-40 -97.7 100.42 11.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.671 0.272 . . . . 0.0 110.782 -177.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m -92.96 10.48 31.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.077 0.465 . . . . 0.0 110.404 177.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.5 ' HA ' ' HB3' ' B' ' 9' ' ' ALA . 18.5 p-10 -66.45 -25.42 66.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.781 -177.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -51.93 -51.46 56.85 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.981 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.49 -27.28 21.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -177.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' B' ' 6' ' ' ASP . . . -63.82 -35.37 80.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -30.77 71.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.952 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 97.8 mt -65.65 -43.84 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.92 -37.54 87.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.83 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.41 -45.77 65.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.312 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.46 ' HG2' HD11 ' A' ' 101' ' ' LEU . 8.5 tp-100 -63.4 -44.36 94.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.115 -177.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.0 m -67.41 -30.31 48.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 121.068 0.461 . . . . 0.0 110.246 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.728 ' HB1' ' HA ' ' A' ' 24' ' ' ASN . . . -70.55 -32.56 70.04 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.127 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -68.28 -43.3 78.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.137 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.89 -46.82 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.023 175.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.82 -31.6 80.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.637 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -62.52 -45.44 92.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.72 0.295 . . . . 0.0 110.757 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.33 -18.88 59.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.051 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.31 -32.51 29.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.617 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.25 84.37 2.42 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.667 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 19.1 t-20 -173.08 112.73 0.23 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.27 172.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.62 -37.96 95.53 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.356 -0.45 . . . . 0.0 112.853 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 77.8 mtt85 -62.58 -38.45 90.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.144 0.497 . . . . 0.0 110.458 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' B' ' 24' ' ' ASN . 40.9 ttm180 -78.1 -26.52 48.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.675 -176.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 90.3 mt -62.01 -23.93 66.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -177.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -62.1 -32.38 72.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.056 0.455 . . . . 0.0 110.441 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.45 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 72.8 mt -67.03 -44.81 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.258 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.72 -36.02 82.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.896 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.73 -43.14 94.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.107 0.479 . . . . 0.0 110.211 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.8 tp -68.76 -35.07 76.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 73.4 mt -83.55 -8.46 59.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 0.0 111.597 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -7.86 53.45 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.685 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -114.33 5.39 15.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.356 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.95 -162.0 27.8 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.26 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.448 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.7 OUTLIER -96.79 137.15 36.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.119 0.485 . . . . 0.0 110.768 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -136.21 144.44 44.91 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 -177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.588 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.0 149.23 46.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.87 -178.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 77' ' ' GLN . 60.6 t -56.49 -39.21 60.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 O-C-N 123.309 0.38 . . . . 0.0 110.654 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.561 ' HA ' ' CD2' ' B' ' 52' ' ' LEU . 2.9 tm-20 -56.53 -47.82 78.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.472 176.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.54 -38.76 81.09 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.491 HG13 ' O ' ' B' ' 40' ' ' ALA . 86.7 mt -61.14 -49.47 84.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.7 95.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.104 -178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.0 m -64.78 -43.69 92.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.313 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.19 -22.06 63.93 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 16.7 p -96.97 -13.33 22.43 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.774 0.321 . . . . 0.0 111.228 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.36 30.94 39.28 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.044 -178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 68.7 mtm -118.7 -175.93 2.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.997 0.427 . . . . 0.0 110.479 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -98.55 160.33 14.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.789 178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.561 ' CD2' ' HA ' ' B' ' 42' ' ' GLU . 92.7 mt -55.93 -45.33 78.78 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.23 0.331 . . . . 0.0 111.304 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.5 m -67.14 -35.9 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.974 -178.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 5.0 m -65.77 -45.15 83.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.182 0.515 . . . . 0.0 110.767 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.38 -45.29 84.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.583 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -60.5 -38.42 84.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.65 85.81 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.935 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -68.34 -33.24 73.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.915 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' B' ' 79' ' ' TYR . 81.1 mt -66.22 -34.65 78.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 176.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.97 -36.22 82.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.147 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.96 -44.16 93.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -36.08 82.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.927 177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -65.57 -40.64 93.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.225 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 39.1 m -66.62 -30.9 71.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.439 177.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.91 -29.74 70.67 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.32 20.21 52.9 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.317 -0.468 . . . . 0.0 113.023 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.714 ' HB2' HG11 ' B' ' 86' ' ' VAL . 1.4 pt? -105.23 -1.78 24.92 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.391 -0.523 . . . . 0.0 111.81 -176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.53 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.827 0.346 . . . . 0.0 110.975 177.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.469 ' HG3' ' HA ' ' B' ' 82' ' ' ALA . 42.1 mt-10 -119.19 151.09 38.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.303 176.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -108.52 137.28 46.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 174.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.455 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 11.2 mmm180 -124.4 127.3 47.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -103.82 109.29 20.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.964 0.411 . . . . 0.0 110.895 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.15 104.04 11.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.29 -104.96 1.52 Allowed Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 t -121.97 5.21 9.88 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.51 0.672 . . . . 0.0 109.547 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -95.01 145.14 25.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.166 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.44 ' O ' HG23 ' B' ' 41' ' ' VAL . 26.5 tt0 -112.0 117.83 33.78 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.06 0.457 . . . . 0.0 110.189 177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.588 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 30.2 m-85 -104.22 153.35 21.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.858 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.427 ' CD1' HD13 ' B' ' 59' ' ' LEU . 11.9 m-85 -128.26 157.85 39.78 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.306 175.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -158.9 172.07 18.89 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.458 HG22 ' H ' ' B' ' 83' ' ' GLY . 45.6 mm -76.45 134.38 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.469 ' HA ' ' HG3' ' B' ' 69' ' ' GLU . . . -69.0 -24.61 64.24 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . 0.458 ' H ' HG22 ' B' ' 81' ' ' ILE . . . -158.84 151.59 22.58 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 0.0 OUTLIER -61.14 -34.16 74.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.081 0.467 . . . . 0.0 110.308 178.376 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . 0.548 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 5.3 t0 -63.27 -32.7 74.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.566 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.714 HG11 ' HB2' ' B' ' 67' ' ' LEU . 57.5 t -69.5 -40.7 80.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.98 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.74 71.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.41 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 89.5 mtt180 -63.27 -45.25 92.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.578 176.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.43 ' HB2' HD22 ' A' ' 92' ' ' LEU . 44.1 tp -58.69 -50.48 73.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.61 178.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.22 -46.56 85.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.908 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.505 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.8 -44.95 88.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.428 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.4 tt -60.02 -53.31 59.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.816 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.33 -31.15 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.038 0.447 . . . . 0.0 110.991 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -67.16 -41.56 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.119 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 91' ' ' ALA . 75.0 t -61.69 -47.5 93.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.372 175.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 92' ' ' LEU . 93.9 t -52.06 -45.94 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.815 178.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.502 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -63.4 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 179.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -59.63 -35.61 74.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.841 0.353 . . . . 0.0 111.517 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -66.7 -53.69 31.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.224 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -73.88 -22.43 59.73 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.485 -175.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' B' ' 97' ' ' ALA . 84.1 mt -77.94 78.28 4.43 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 168.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.657 ' HB2' ' HD2' ' B' ' 104' ' ' HIS . 8.4 pt-20 -53.23 108.49 0.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.43 -170.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -79.43 80.3 5.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.214 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.657 ' HD2' ' HB2' ' B' ' 102' ' ' GLU . 93.2 m-70 -131.57 89.98 2.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 30.5 m80 69.77 -87.02 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.381 -176.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -143.91 -58.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.774 -0.193 . . . . 0.0 110.51 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' B' ' 104' ' ' HIS . 21.9 m-70 56.02 52.79 9.98 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.486 -178.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.118 -0.944 . . . . 0.0 109.877 178.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.4 mtp . . . . . 0 N--CA 1.483 1.21 0 CA-C-O 120.436 0.16 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.76 86.41 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.647 0.592 . . . . 0.0 112.169 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.03 -3.07 0.22 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.939 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -104.38 175.3 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.029 0.442 . . . . 0.0 110.859 -177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -90.17 87.43 6.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.481 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -88.72 -26.56 21.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.276 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 11' ' ' LEU . 47.4 mtt180 -61.37 -38.94 88.8 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.726 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -60.1 -54.8 41.69 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.849 0.357 . . . . 0.0 110.293 -178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.05 -41.4 92.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.84 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.9 -27.62 64.94 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.578 ' HA ' HE21 ' A' ' 14' ' ' GLN . 4.5 tt -72.2 -50.37 28.07 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' B' ' 28' ' ' LEU . 78.2 mt -64.79 -33.86 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.435 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.46 -53.47 57.75 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.632 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.744 HE22 HD11 ' B' ' 101' ' ' LEU . 28.6 pt20 -75.49 -35.7 60.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.797 -173.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HA ' ' A' ' 12' ' ' LEU . 35.2 m -70.55 -31.34 46.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.452 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -68.13 -35.71 78.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 174.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.1 ttp85 -63.83 -39.52 94.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.521 176.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 14' ' ' GLN . 63.5 t -61.46 -43.81 97.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.2 -22.0 70.52 Favored Glycine 0 N--CA 1.451 -0.357 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.885 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 58.1 mtpt -71.99 -46.92 55.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.923 0.392 . . . . 0.0 110.286 176.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.41 69.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 0.0 110.049 178.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 18.6 tp -91.7 24.4 3.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.306 177.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.534 ' HB3' HH21 ' A' ' 27' ' ' ARG . . . -78.57 15.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.027 0.442 . . . . 0.0 110.323 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.678 ' CG ' ' HA ' ' B' ' 16' ' ' ALA . 27.4 m-80 70.88 -170.83 0.16 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.08 -0.963 . . . . 0.0 112.304 169.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.61 -157.3 15.03 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.637 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 26' ' ' ARG . 5.2 ptp180 -64.7 -22.74 67.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.967 0.413 . . . . 0.0 110.964 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.534 HH21 ' HB3' ' A' ' 23' ' ' ALA . 16.9 ptt180 -72.83 -10.21 59.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.46 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.62 HD11 ' OD1' ' A' ' 24' ' ' ASN . 30.3 mt -73.12 -30.07 63.35 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-O 120.776 0.322 . . . . 0.0 110.307 174.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -64.58 -26.54 68.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.857 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.99 -49.79 41.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.952 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.64 -40.78 93.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.905 177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -59.83 -40.43 88.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.807 178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.2 tp -70.62 -41.87 71.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.489 178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.86 -31.25 70.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.64 -21.3 66.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.149 0.5 . . . . 0.0 110.595 176.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -95.96 -0.48 50.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.706 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.67 137.76 3.37 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.264 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -74.19 141.4 45.49 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -154.75 172.43 17.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.081 0.467 . . . . 0.0 112.072 -171.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -76.37 163.21 27.21 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.317 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -59.67 -40.98 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.405 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.542 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.7 mp0 -57.45 -45.47 84.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.786 -178.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.75 95.56 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.313 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.5 mt -62.24 -48.47 88.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.002 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.2 -38.8 87.86 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.326 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.1 m -67.49 -50.88 56.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.03 -32.89 72.48 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.447 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -84.3 -25.46 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.485 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.01 31.67 16.76 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.952 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -125.32 175.74 7.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.133 0.492 . . . . 0.0 111.278 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -75.93 154.06 36.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.606 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.542 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 73.1 mt -54.95 -50.57 68.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.756 0.312 . . . . 0.0 111.262 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -64.93 -32.45 74.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.686 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 80.5 m -65.69 -47.05 76.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.238 176.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.11 -41.67 98.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.421 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.593 ' O ' ' HG2' ' A' ' 60' ' ' GLN . 39.4 m -59.94 -42.17 93.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.922 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.3 -44.63 96.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -64.48 -37.43 87.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.484 177.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.6 mt -65.47 -33.3 75.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.051 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 56' ' ' SER . 31.8 mm-40 -63.39 -42.62 98.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.87 0.367 . . . . 0.0 110.093 177.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.28 -46.44 86.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.246 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.611 ' HB3' HG22 ' A' ' 68' ' ' VAL . 6.0 mp -56.09 -43.94 78.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.003 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.2 tttm -70.56 -36.26 73.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.5 m -68.75 -25.94 64.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.29 -15.67 68.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.524 175.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.06 16.73 49.92 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.687 179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.38 -38.8 26.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 111.297 -177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.611 HG22 ' HB3' ' A' ' 62' ' ' LEU . 22.2 m -134.04 162.64 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 0.0 111.598 -175.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -124.76 166.09 16.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.49 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.03 150.03 48.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.886 0.374 . . . . 0.0 111.702 -173.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 71' ' ' ARG . 63.6 mtm-85 -129.84 115.4 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.513 174.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -79.09 96.76 5.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 172.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -110.32 88.09 2.68 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.509 0.671 . . . . 0.0 110.382 -177.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.62 -121.98 10.17 Favored Glycine 0 N--CA 1.445 -0.742 0 CA-C-N 115.042 -0.981 . . . . 0.0 112.135 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.8 t -91.84 -5.73 52.87 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.618 0.247 . . . . 0.0 111.167 -177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -124.28 147.9 47.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.103 0.477 . . . . 0.0 110.842 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -114.94 124.36 51.48 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.653 -176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 67.1 m-85 -99.27 140.32 33.61 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.188 178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -120.13 137.6 54.06 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.961 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -133.51 159.44 40.41 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.726 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.419 HG22 ' H ' ' A' ' 83' ' ' GLY . 54.9 mt -65.43 142.55 16.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 172.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -55.87 -24.45 37.09 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -176.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 81' ' ' ILE . . . 170.0 -172.3 43.77 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.201 176.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.506 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -70.82 -24.25 62.51 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.073 0.464 . . . . 0.0 110.091 179.708 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 p30 -65.34 -50.25 66.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.462 178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.486 HG21 ' HB3' ' A' ' 82' ' ' ALA . 59.5 t -70.75 -37.6 69.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.659 177.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.85 -47.38 86.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.06 0.457 . . . . 0.0 111.02 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -78.03 -14.21 59.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.941 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.32 -47.23 65.05 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 173.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -66.35 -35.68 80.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.126 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -66.63 -37.68 85.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 176.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.9 tt -61.32 -52.59 64.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.08 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.416 HG22 HG12 ' B' ' 15' ' ' VAL . 7.1 p -67.35 -25.02 32.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-O 120.965 0.412 . . . . 0.0 110.596 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -66.85 -42.6 85.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.028 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' ALA . 84.3 t -64.44 -42.32 94.92 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.894 175.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 92' ' ' LEU . 98.9 t -53.63 -39.75 39.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.408 176.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.831 ' HA ' HE21 ' B' ' 14' ' ' GLN . . . -73.81 -60.56 2.2 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.311 178.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -54.98 -46.67 75.12 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -172.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 7.2 tm-20 -73.24 -48.02 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.669 0.271 . . . . 0.0 110.797 -176.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -72.0 -13.79 61.71 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.648 0.261 . . . . 0.0 110.969 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 44.6 tp -86.95 -7.4 58.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.871 0.367 . . . . 0.0 110.684 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 2.2 mm-40 -64.87 170.89 3.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.203 0.525 . . . . 0.0 111.359 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -70.86 98.8 1.63 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.287 -171.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -131.04 3.3 4.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.417 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -64.44 -61.36 2.27 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.803 177.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -171.86 101.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -98.71 48.87 0.97 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.292 0.567 . . . . 0.0 111.364 -170.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.739 -0.648 . . . . 0.0 109.834 178.304 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.566 -0.161 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.99 11.39 7.03 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.816 0.698 . . . . 0.0 112.472 176.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.27 37.5 94.12 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.082 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -59.53 114.99 2.99 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 122.33 0.252 . . . . 0.0 110.899 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t 75.96 -16.61 0.59 Allowed 'General case' 0 N--CA 1.467 0.405 0 O-C-N 124.014 0.821 . . . . 0.0 110.945 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -73.12 -28.68 62.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.004 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.29 -32.72 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.462 -177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -80.47 -38.55 29.73 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.89 93.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.553 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.44 -30.64 71.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.832 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tt -67.92 -46.2 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.503 ' HA ' HG22 ' B' ' 15' ' ' VAL . 72.0 mt -70.61 -21.73 62.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.997 178.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.508 ' O ' ' HB3' ' B' ' 16' ' ' ALA . 23.3 t70 -81.05 -38.51 27.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.082 0.468 . . . . 0.0 110.55 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.831 HE21 ' HA ' ' A' ' 97' ' ' ALA . 28.8 tt0 -68.62 -44.63 73.83 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.503 HG22 ' HA ' ' B' ' 12' ' ' LEU . 34.0 m -66.44 -25.6 35.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.145 176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.678 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -57.6 -47.08 83.15 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.313 175.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -60.67 -44.36 96.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.22 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 51.4 t -64.13 -56.41 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.698 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.529 ' HA3' HD21 ' A' ' 24' ' ' ASN . . . -62.35 -43.61 98.83 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.087 -0.578 . . . . 0.0 112.409 -177.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -64.68 -26.66 68.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.889 0.376 . . . . 0.0 110.699 177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.99 62.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.54 0.209 . . . . 0.0 110.442 176.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.452 HD23 HD21 ' B' ' 67' ' ' LEU . 99.1 mt -68.46 -34.29 75.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 110.551 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.61 50.51 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.119 0.485 . . . . 0.0 110.629 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' B' ' 27' ' ' ARG . 10.9 p30 -97.83 -32.47 11.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.983 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.77 -99.88 2.34 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.709 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.38 -10.87 60.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.037 0.755 . . . . 0.0 113.037 -172.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.513 ' HB2' ' OD1' ' B' ' 24' ' ' ASN . 91.7 mtt180 -81.59 -10.9 59.32 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.303 -179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.466 ' HB3' HD22 ' A' ' 12' ' ' LEU . 94.6 mt -67.65 -18.57 65.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.278 177.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -62.9 -29.12 70.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.144 174.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.8 mt -70.52 -48.86 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.904 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.725 HD11 HD23 ' B' ' 67' ' ' LEU . 90.0 mt -61.32 -37.48 83.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.871 179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -59.6 -48.07 83.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.623 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.06 -42.14 89.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.626 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.3 mm? -66.61 -30.34 70.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.776 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.07 64.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.213 0.53 . . . . 0.0 110.501 176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -97.68 -19.33 18.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.723 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 164.88 153.82 7.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.345 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.625 ' O ' ' HD2' ' B' ' 39' ' ' ARG . 10.3 pt-20 -78.47 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.72 0.295 . . . . 0.0 110.338 178.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.625 ' HD2' ' O ' ' B' ' 38' ' ' GLU . 2.4 mpt_? -138.62 163.69 31.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.368 -175.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.48 164.81 15.28 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -46.59 -45.67 7.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.526 ' HG2' HD21 ' B' ' 52' ' ' LEU . 47.3 mt-10 -59.46 -51.9 67.91 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -177.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.57 98.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.213 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.517 HG21 HD21 ' B' ' 59' ' ' LEU . 74.3 mt -60.64 -47.39 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.497 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.52 94.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.249 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 20.9 m -64.97 -48.8 72.72 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.216 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.66 -25.02 64.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -175.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.74 -10.79 35.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 35.85 21.8 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.784 178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.414 ' HB2' ' HB ' ' B' ' 54' ' ' THR . 24.1 ptp -130.78 -178.47 4.81 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -100.86 164.67 11.73 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.526 HD21 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -55.78 -41.06 73.49 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.643 0.259 . . . . 0.0 110.912 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 12.3 p -61.25 -46.49 90.16 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.34 0.59 . . . . 0.0 110.744 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.414 ' HB ' ' HB2' ' B' ' 50' ' ' MET . 2.9 m -62.19 -49.03 77.4 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.405 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.54 96.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.205 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 22.5 t -53.97 -48.24 70.53 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.746 0.308 . . . . 0.0 110.724 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.75 92.33 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.341 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -65.82 -44.23 86.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.517 HD21 HG21 ' B' ' 44' ' ' ILE . 82.5 mt -59.6 -49.07 79.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.531 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -66.33 -26.64 67.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.747 0.308 . . . . 0.0 111.059 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.0 -60.01 4.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.495 ' HG ' HG22 ' B' ' 68' ' ' VAL . 2.2 pt? -76.84 -12.3 59.95 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.221 -177.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -68.52 -37.72 80.28 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 172.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 50.9 m -71.12 -30.65 66.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.242 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.58 -15.66 68.77 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.985 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.71 17.09 50.04 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.535 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.725 HD23 HD11 ' B' ' 31' ' ' LEU . 7.2 mp -86.97 -48.01 8.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.81 0.338 . . . . 0.0 111.328 -177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.495 HG22 ' HG ' ' B' ' 62' ' ' LEU . 31.0 m -116.84 159.74 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.224 0.535 . . . . 0.0 111.42 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.6 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -128.13 155.43 44.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.919 177.412 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.65 139.89 52.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.919 0.39 . . . . 0.0 111.801 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.532 ' HD3' ' NH1' ' B' ' 80' ' ' ARG . 28.7 mtp85 -136.13 130.98 34.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.06 174.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -86.23 105.66 16.77 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' B' ' 78' ' ' TYR . 51.9 mt-10 -120.23 128.82 53.71 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.39 -108.34 2.49 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -126.94 8.15 6.74 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.101 0.477 . . . . 0.0 111.07 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -132.21 156.37 46.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.119 0.485 . . . . 0.0 111.303 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -97.01 120.3 37.1 Favored 'General case' 0 C--O 1.242 0.687 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.471 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.468 ' CD2' ' HB2' ' B' ' 73' ' ' GLU . 72.2 m-85 -95.42 141.07 29.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.319 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.44 ' O ' HD11 ' B' ' 34' ' ' LEU . 27.7 m-85 -114.28 136.45 52.95 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.001 174.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.532 ' NH1' ' HD3' ' B' ' 71' ' ' ARG . 9.1 ptp85 -143.07 177.01 8.67 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.211 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.559 HG21 ' HB2' ' B' ' 87' ' ' ALA . 48.5 mm -67.78 135.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.6 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -58.23 -48.85 79.09 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.27 168.16 32.5 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.486 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -62.43 -36.15 81.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.157 0.503 . . . . 0.0 110.76 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.82 -41.12 96.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.614 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' B' ' 67' ' ' LEU . 42.4 t -65.82 -40.28 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.424 177.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' B' ' 81' ' ' ILE . . . -62.54 -44.72 95.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.815 178.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -70.17 -22.78 62.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.458 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.467 HD23 HD22 ' A' ' 92' ' ' LEU . 3.1 tm? -68.18 -49.84 58.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -65.07 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.915 0.388 . . . . 0.0 110.289 179.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.426 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.93 -43.58 82.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.442 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 55.1 tp -62.21 -47.26 85.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.096 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.525 ' HA ' HG12 ' B' ' 96' ' ' VAL . 22.5 m -65.77 -28.93 45.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-O 120.806 0.336 . . . . 0.0 110.887 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.51 -48.82 59.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.15 0.5 . . . . 0.0 109.987 176.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.7 t -63.5 -48.25 87.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.392 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' B' ' 93' ' ' VAL . 12.5 p -62.11 -37.28 78.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.724 0.297 . . . . 0.0 111.064 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -64.35 -52.27 59.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 0.0 110.492 178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.591 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.9 t70 -64.42 -35.16 79.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.043 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.09 -46.61 83.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.318 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -74.15 -23.32 59.25 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.744 HD11 HE22 ' A' ' 14' ' ' GLN . 71.8 mt -60.3 -66.63 0.49 Allowed 'General case' 0 CA--C 1.521 -0.151 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 173.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 44.84 -91.94 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.477 1.111 . . . . 0.0 112.402 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -139.89 75.65 1.52 Allowed 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 121.153 0.502 . . . . 0.0 109.737 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -71.47 87.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.905 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -163.74 -83.97 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.923 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -169.76 170.62 7.81 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.31 -61.49 1.99 Allowed 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.011 174.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 19.9 m80 . . . . . 0 C--O 1.245 0.831 0 CA-C-O 118.226 -0.893 . . . . 0.0 109.66 171.034 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.92 -47.09 0.61 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.657 0.783 . . . . 0.0 112.099 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 112.9 140.99 7.95 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -63.82 104.3 0.67 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.962 0.41 . . . . 0.0 109.994 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -70.25 123.35 21.47 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.385 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.63 -11.31 57.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.164 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 7' ' ' ARG . 24.1 ttt180 -65.24 -23.08 66.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.51 178.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -63.17 -30.76 71.85 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.616 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.05 70.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.07 -34.65 76.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.167 0.508 . . . . 0.0 110.119 177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 77.0 mt -67.66 -43.0 81.31 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.629 ' HA ' HG22 ' A' ' 15' ' ' VAL . 76.3 mt -63.71 -27.36 69.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.802 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.84 -51.02 62.41 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.141 0.496 . . . . 0.0 110.91 174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -74.26 -31.11 62.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.964 -174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.629 HG22 ' HA ' ' A' ' 12' ' ' LEU . 29.9 m -71.43 -28.14 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.912 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -66.8 -35.7 80.67 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.052 173.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 ttm180 -59.86 -43.26 94.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.179 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.5 t -59.53 -44.5 93.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.878 175.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.73 -37.15 93.79 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.333 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.608 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 66.1 mttm -63.38 -30.29 71.44 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.626 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.54 -26.01 45.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.77 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' B' ' 16' ' ' ALA . 70.3 mt -97.27 13.26 30.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.95 -6.49 59.5 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.64 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 8.3 p30 -136.87 138.86 41.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -83.82 -22.8 54.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 113.793 -172.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -74.71 -23.62 58.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.396 0.598 . . . . 0.0 112.38 -175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -85.39 -22.41 28.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.069 0.461 . . . . 0.0 109.995 172.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 80.5 mt -68.87 -20.81 64.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.037 176.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -56.3 -35.19 67.25 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.226 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 60.1 mt -71.87 -42.37 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.413 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.72 -44.3 97.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -62.31 -34.98 77.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.407 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.4 tt -76.28 -39.2 54.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.813 177.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 73.2 mt -75.12 -5.35 43.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.355 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.31 -11.35 50.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.022 0.439 . . . . 0.0 110.696 173.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -81.58 -21.25 38.54 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.32 -119.69 1.55 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.192 -177.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.627 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 0.2 OUTLIER -115.37 144.17 44.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.119 0.485 . . . . 0.0 111.653 179.797 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -145.75 148.31 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.755 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.75 154.33 30.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.568 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.4 t -53.75 -36.31 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.51 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.34 -49.67 75.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.154 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.69 -46.33 69.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.0 mt -56.34 -47.93 80.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.867 -179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.93 87.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.044 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 m -62.71 -42.54 99.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.421 -178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.98 -28.64 66.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.951 -176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 p -97.22 -3.06 41.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.824 0.345 . . . . 0.0 111.482 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.61 35.35 62.64 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.551 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.9 mtm -124.27 176.31 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -91.92 163.94 13.83 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.51 HD21 ' HG2' ' A' ' 42' ' ' GLU . 11.1 mp -61.54 -39.2 90.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.813 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.1 p -62.61 -46.61 87.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.553 177.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.3 m -61.17 -47.41 86.3 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.567 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.71 88.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.164 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.72 -35.96 79.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.968 -177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.81 87.09 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.124 0.488 . . . . 0.0 110.551 178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -66.44 -41.39 89.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.325 177.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 79' ' ' TYR . 85.6 mt -63.49 -35.95 82.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.035 178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.22 -38.93 93.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.46 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -45.44 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.592 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.78 -32.99 74.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.574 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -68.53 -41.78 79.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.41 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.0 t -68.6 -32.6 72.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.571 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.74 -16.96 79.09 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.267 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.13 28.03 19.07 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.254 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HA ' HG11 ' A' ' 86' ' ' VAL . 3.2 mm? -92.38 -53.26 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.998 0.428 . . . . 0.0 110.494 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 81' ' ' ILE . 34.8 m -126.55 158.1 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.144 0.497 . . . . 0.0 112.029 -174.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.95 172.9 6.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.408 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -131.6 132.85 44.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.045 0.45 . . . . 0.0 111.53 -178.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -122.8 128.56 50.6 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.101 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -88.56 101.71 14.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.103 0.478 . . . . 0.0 110.071 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 1.1 tm-20 -107.15 113.86 27.55 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.02 -103.69 1.35 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.617 -176.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.6 m -118.29 -16.8 9.62 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.088 0.471 . . . . 0.0 110.824 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -104.99 153.57 21.27 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.57 0.7 . . . . 0.0 112.033 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.4 117.54 31.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.203 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.42 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 74.6 m-85 -95.92 133.63 39.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.019 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.503 ' CD1' HD13 ' A' ' 59' ' ' LEU . 23.5 m-85 -108.57 139.74 42.91 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.28 176.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.627 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 48.6 ttp180 -147.97 145.82 28.71 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.422 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.416 HG22 ' H ' ' A' ' 83' ' ' GLY . 52.8 mt -61.73 129.55 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 173.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 -9.86 58.76 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -169.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.416 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -170.31 149.63 13.16 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.839 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -67.58 -29.94 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.877 0.338 . . . . 0.0 110.145 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.09 -43.86 67.13 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.944 0.402 . . . . 0.0 110.333 173.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.489 HG11 ' HA ' ' A' ' 67' ' ' LEU . 60.8 t -65.25 -44.19 95.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.485 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.43 -42.01 96.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 88' ' ' ARG . 39.1 mtp180 -64.71 -34.97 79.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.002 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.79 -46.71 88.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.44 -38.84 85.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.85 -42.16 81.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.46 -52.73 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.506 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.7 p -64.12 -33.01 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.045 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -67.79 -43.24 80.18 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.853 0.359 . . . . 0.0 110.474 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 91' ' ' ALA . 99.0 t -68.49 -48.71 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.366 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 95.6 t -59.24 -39.04 77.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.849 0.357 . . . . 0.0 110.838 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.1 77.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.658 177.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.36 66.4 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.183 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.83 -10.93 59.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.792 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -90.75 -22.95 20.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.863 0.364 . . . . 0.0 110.953 -178.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 pp -97.11 -1.7 44.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.773 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -52.6 107.06 0.19 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.666 0.604 . . . . 0.0 110.228 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -140.88 33.97 1.77 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 121.359 0.599 . . . . 0.0 110.692 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -125.54 -48.36 1.68 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 171.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -80.78 96.74 7.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.683 174.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -127.67 100.57 6.02 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.419 -177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -141.2 84.47 1.92 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.023 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.278 176.479 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.19 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.507 0.723 . . . . 0.0 111.57 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.68 -161.36 11.75 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.986 -178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -98.8 -4.26 33.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t 70.71 97.44 0.07 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.39 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.88 -17.5 63.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.436 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -70.78 -31.42 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.361 176.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -66.62 -27.95 68.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.528 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.05 -31.06 72.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.671 177.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.37 -30.85 67.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.948 0.404 . . . . 0.0 110.555 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.46 -36.14 78.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.055 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -68.23 -30.77 69.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.612 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -77.74 -32.21 52.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.155 0.503 . . . . 0.0 110.025 175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -63.99 -47.94 78.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.52 177.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.24 -25.87 30.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.434 177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 22' ' ' LEU . . . -65.81 -33.16 75.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 ttp180 -68.19 -36.85 80.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.976 0.417 . . . . 0.0 110.155 176.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 54.1 t -64.83 -49.08 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.036 175.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.52 -37.9 94.93 Favored Glycine 0 C--N 1.332 0.313 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.183 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -59.43 -38.19 80.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.057 0.456 . . . . 0.0 110.589 177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.482 ' HB1' ' NH2' ' B' ' 27' ' ' ARG . . . -71.78 -27.86 63.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.841 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.566 ' HA ' HD21 ' B' ' 28' ' ' LEU . 79.0 mt -83.95 -17.44 40.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.76 -3.44 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -174.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.447 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 26.9 t-20 -87.06 -38.73 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.782 0.325 . . . . 0.0 110.859 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 16' ' ' ALA . . . 81.94 -59.57 4.86 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.794 -0.717 . . . . 0.0 113.551 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.27 -42.93 99.47 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.84 0.352 . . . . 0.0 111.407 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.762 HH21 HD23 ' B' ' 62' ' ' LEU . 12.0 ptm180 -68.59 -11.16 59.64 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.881 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.566 HD21 ' HA ' ' B' ' 22' ' ' LEU . 55.7 mt -78.58 -16.36 57.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.921 0.391 . . . . 0.0 110.604 -177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -61.53 -32.92 72.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.058 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.442 HG22 HD23 ' B' ' 34' ' ' LEU . 57.3 mt -66.26 -34.15 68.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.35 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 89.0 mt -64.72 -37.18 86.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.293 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -62.67 -35.57 80.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.298 0.571 . . . . 0.0 110.471 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.465 ' HA ' ' NE2' ' B' ' 36' ' ' GLN . 51.0 tp -75.82 -29.06 58.53 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.719 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' B' ' 80' ' ' ARG . 3.5 mm? -82.4 -17.15 46.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.572 -178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.5 -0.51 15.26 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.424 0.63 . . . . 0.0 110.094 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' B' ' 33' ' ' LEU . 51.8 mt-30 -104.69 -1.53 26.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.222 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.78 -178.43 17.24 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.6 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.14 135.73 46.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.227 0.537 . . . . 0.0 110.567 -178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -125.38 138.38 54.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.421 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.576 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -81.51 155.83 25.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.714 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 77' ' ' GLN . 72.5 t -52.8 -55.13 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 O-C-N 123.331 0.394 . . . . 0.0 111.851 -178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -63.31 -35.91 81.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.312 . . . . 0.0 110.809 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.42 83.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.447 HD13 HD21 ' B' ' 59' ' ' LEU . 87.6 mt -60.6 -46.26 95.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.48 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -54.09 44.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.158 -179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 15.2 m -66.34 -40.92 90.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.264 -177.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.26 -28.17 67.81 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -176.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.479 ' OG1' ' HG2' ' B' ' 50' ' ' MET . 31.9 p -100.37 -6.33 25.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.016 0.436 . . . . 0.0 111.158 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.31 35.87 56.16 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.425 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.479 ' HG2' ' OG1' ' B' ' 48' ' ' THR . 23.4 ptp -122.18 169.6 10.73 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -86.9 162.12 17.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.223 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 95.7 mt -56.34 -44.57 80.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.033 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.1 m -58.34 -40.83 83.23 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 9.1 m -67.44 -52.15 43.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.718 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.97 -43.45 98.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.266 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -60.7 -42.05 96.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.839 -179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.78 85.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 110.768 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.2 m-20 -64.35 -43.08 95.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.712 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.447 HD21 HD13 ' B' ' 44' ' ' ILE . 95.9 mt -64.17 -42.05 96.88 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -62.12 -41.02 97.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.987 0.423 . . . . 0.0 110.204 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.27 -37.39 87.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.886 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.762 HD23 HH21 ' B' ' 27' ' ' ARG . 97.2 mt -64.06 -38.99 93.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.004 0.431 . . . . 0.0 110.74 178.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -76.31 -35.31 58.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.307 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 3.6 p -72.6 -29.89 63.89 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.557 0.206 . . . . 0.0 111.557 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.34 -20.35 79.87 Favored Glycine 0 C--N 1.334 0.457 0 C-N-CA 120.315 -0.945 . . . . 0.0 111.657 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.64 29.27 9.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.984 177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.36 -35.19 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.834 0.317 . . . . 0.0 111.798 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 26.6 m -130.04 156.84 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.332 0.587 . . . . 0.0 112.342 -173.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -119.44 176.98 5.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.332 173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.97 148.89 31.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.438 0.637 . . . . 0.0 112.654 -174.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.603 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 13.8 mmm180 -124.23 96.25 4.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.965 173.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -86.86 133.37 33.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.223 0.535 . . . . 0.0 111.202 -176.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.443 ' HB3' ' HE1' ' B' ' 78' ' ' TYR . 37.9 tt0 -133.3 96.74 3.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.077 177.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 61.94 -116.46 9.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.751 -174.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 55.1 p -95.34 3.63 54.24 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 0.0 110.414 178.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -93.74 143.79 26.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.278 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.429 ' O ' HG23 ' B' ' 41' ' ' VAL . 53.4 mt-30 -124.61 103.85 8.37 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.052 176.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.576 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 23.1 m-85 -90.42 157.28 17.67 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.407 ' CD1' HD13 ' B' ' 59' ' ' LEU . 37.4 m-85 -121.82 162.17 21.4 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 174.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.603 ' HD2' ' HG2' ' B' ' 71' ' ' ARG . 15.8 ptm180 -153.88 155.62 36.05 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -177.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 61.8 mt -64.42 134.26 29.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.71 -41.78 64.23 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -173.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.69 167.96 33.73 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.243 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.6 -40.82 96.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 110.975 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -70.79 -27.66 64.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.117 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.41 -37.13 78.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.286 0.565 . . . . 0.0 109.556 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.75 77.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.199 175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 88' ' ' ARG . 45.2 mtp180 -59.84 -36.43 76.8 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.506 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.584 ' O ' HG23 ' B' ' 93' ' ' VAL . 8.1 tt -59.44 -56.52 20.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.914 178.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.422 ' HE1' ' HB3' ' B' ' 28' ' ' LEU . 90.4 t80 -58.66 -40.43 83.49 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.64 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.488 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -59.63 -52.08 67.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.43 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 59.6 tp -57.29 -37.17 72.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.934 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 89' ' ' LEU . 77.1 t -57.56 -53.64 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.293 178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -75.46 -22.31 57.38 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.487 . . . . 0.0 110.734 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 91' ' ' ALA . 35.7 t -68.68 -46.22 80.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.409 0.147 . . . . 0.0 110.948 176.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 34.4 m -69.27 -25.8 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.505 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.605 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -76.0 -66.87 0.74 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.4 175.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -65.51 -43.31 90.47 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -171.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.76 -24.06 62.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.844 0.354 . . . . 0.0 111.231 -175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -85.75 -6.11 59.16 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.73 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' B' ' 97' ' ' ALA . 92.0 mt -81.79 88.52 6.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.887 178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -141.48 130.65 23.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.852 172.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -177.41 -16.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.635 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -72.71 -23.53 60.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -119.19 92.04 3.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.028 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -70.22 -28.53 65.34 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.284 -178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -101.88 130.08 48.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.876 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.181 178.588 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.96 161.18 37.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.436 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.86 -115.22 2.24 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 61.05 83.29 0.15 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.499 0.666 . . . . 0.0 111.202 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 p -80.81 6.31 13.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.361 -177.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.22 -25.66 67.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.383 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -69.51 -29.32 66.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.788 0.328 . . . . 0.0 110.47 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' HA ' HD23 ' A' ' 11' ' ' LEU . 62.6 tttm -74.77 -25.17 58.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.368 0.604 . . . . 0.0 109.654 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.24 -16.11 63.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.942 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.46 63.62 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.024 0.44 . . . . 0.0 110.369 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 8' ' ' LYS . 2.3 mm? -77.42 -33.11 54.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.361 0.6 . . . . 0.0 109.471 176.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' HA ' HG22 ' A' ' 15' ' ' VAL . 89.4 mt -70.64 -34.47 72.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.879 175.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -63.03 -37.47 87.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.858 171.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -67.4 -49.16 65.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.966 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 12' ' ' LEU . 27.5 m -68.28 -24.94 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.678 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.97 -35.47 80.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.264 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 17' ' ' ARG . 15.4 ttp180 -64.93 -40.69 95.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.024 0.44 . . . . 0.0 109.954 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.0 t -63.32 -48.29 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.347 176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.95 -35.58 92.26 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.273 178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -59.79 -39.62 85.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.779 0.323 . . . . 0.0 110.727 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.59 -33.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.009 0.433 . . . . 0.0 110.816 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.499 ' HA ' HD21 ' A' ' 28' ' ' LEU . 96.8 mt -69.18 -34.46 74.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.512 177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.7 16.1 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.601 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.458 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -83.72 -28.76 28.04 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.81 -83.67 1.58 Allowed Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.018 -0.611 . . . . 0.0 113.63 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -68.43 -20.13 64.63 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -170.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.458 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 60.7 mtt85 -83.32 -8.67 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.749 0.309 . . . . 0.0 111.639 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 22' ' ' LEU . 93.9 mt -70.17 -15.98 63.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.458 178.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -59.05 -35.37 73.22 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.381 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 61.6 mt -69.2 -45.12 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.557 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -61.21 -38.18 85.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.108 0.48 . . . . 0.0 110.5 178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.85 -34.14 76.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.597 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 54.0 tp -79.93 -23.94 41.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.463 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.417 HD11 ' O ' ' A' ' 79' ' ' TYR . 3.4 mm? -82.92 -11.75 57.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.757 178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.16 -25.39 66.98 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.746 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 13.8 pt20 -93.2 -2.88 54.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.242 -177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 135.13 -175.43 20.65 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.197 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 11.0 pt-20 -71.83 140.97 49.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.97 137.78 51.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.059 -174.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.423 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -73.53 152.91 40.49 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 176.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 77' ' ' GLN . 61.0 t -56.24 -44.12 78.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.018 -178.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 1.3 mp0 -61.07 -41.82 97.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.323 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.16 83.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.778 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.516 HD13 HD21 ' A' ' 59' ' ' LEU . 79.2 mt -59.67 -48.57 86.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.442 177.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.6 -52.07 67.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.822 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.0 m -57.61 -47.41 82.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.38 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.72 95.1 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.3 p -86.68 -5.22 59.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.689 0.28 . . . . 0.0 111.626 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.79 29.35 57.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.324 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.545 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 61.4 mtt -108.45 164.48 12.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -81.15 161.81 23.91 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 173.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -59.49 -38.85 81.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.756 0.313 . . . . 0.0 110.444 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 m -60.46 -45.24 94.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.578 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 1.0 OUTLIER -62.87 -53.83 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.713 -178.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.457 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.2 -41.85 89.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.483 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 29.3 t -59.28 -48.45 81.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.804 -178.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.48 -34.11 76.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 0.0 110.866 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -70.45 -38.86 74.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.547 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 44' ' ' ILE . 97.3 mt -66.24 -39.76 89.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.734 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 56' ' ' SER . 96.3 mt-30 -62.54 -34.81 77.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.473 177.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.48 80.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.4 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -66.89 -33.55 75.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.009 0.433 . . . . 0.0 110.446 178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -72.2 -35.38 68.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.02 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 t -70.37 -18.84 63.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.368 177.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.51 -24.73 41.81 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.628 171.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.26 11.29 42.62 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.713 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.37 -37.51 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -175.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.83 160.81 29.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 112.187 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.562 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 50.0 mt-10 -122.27 167.29 13.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.859 173.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.35 133.73 50.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.763 0.316 . . . . 0.0 111.321 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -142.98 135.44 27.48 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.406 176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -92.71 141.9 27.95 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.484 -0.487 . . . . 0.0 111.018 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -140.07 132.53 28.55 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.91 -111.41 4.14 Favored Glycine 0 N--CA 1.448 -0.526 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -171.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 11.6 t -118.17 -5.14 10.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.891 0.377 . . . . 0.0 110.373 173.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 77.9 mtt-85 -94.56 148.29 22.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.965 0.412 . . . . 0.0 110.973 -173.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' HG23 ' A' ' 41' ' ' VAL . 50.2 tt0 -101.96 111.61 23.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.525 176.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 84.1 m-85 -97.61 141.34 30.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.884 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.427 ' CD1' HD13 ' A' ' 59' ' ' LEU . 21.6 m-85 -110.52 143.49 40.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.561 173.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 4.5 ptp180 -141.35 160.4 40.21 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.122 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 61.7 mt -65.76 138.98 22.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.71 ' HB3' HG21 ' A' ' 86' ' ' VAL . . . -51.83 -43.22 63.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.5 173.73 41.23 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.468 -0.873 . . . . 0.0 111.821 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.441 ' HG3' ' CD ' ' A' ' 88' ' ' ARG . 6.6 tp10 -62.28 -39.08 91.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.013 0.435 . . . . 0.0 109.883 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -59.3 -36.25 75.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.07 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.71 HG21 ' HB3' ' A' ' 82' ' ' ALA . 46.5 t -73.53 -38.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.237 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.39 89.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.23 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' CD ' ' HG3' ' A' ' 84' ' ' GLU . 36.2 mtp180 -68.23 -27.34 66.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.193 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.39 -51.24 66.63 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -65.16 -38.16 89.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.34 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.46 -47.56 75.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.193 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.2 tp -60.55 -48.79 80.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.402 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.46 ' HB ' HD11 ' B' ' 89' ' ' LEU . 14.9 p -64.51 -32.23 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.731 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.498 ' HG3' HD21 ' B' ' 11' ' ' LEU . 9.8 tt0 -68.76 -41.78 78.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.225 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 89.4 t -61.76 -52.15 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.901 178.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.82 -43.34 67.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-O 121.032 0.444 . . . . 0.0 110.596 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.441 ' O ' ' HG ' ' A' ' 101' ' ' LEU . . . -62.53 -54.37 40.81 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.794 177.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -55.49 -38.48 69.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.949 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 95' ' ' VAL . 44.9 mt-10 -65.64 -54.38 28.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.203 0.525 . . . . 0.0 111.144 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -82.02 -20.17 38.91 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -168.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 97' ' ' ALA . 48.5 mt -66.77 -23.15 66.04 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.536 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.91 -18.45 15.69 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.066 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -74.86 84.86 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -93.12 -169.85 2.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.948 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -78.98 94.88 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.8 0.334 . . . . 0.0 110.796 -177.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 61.0 m170 60.07 -142.55 0.56 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.954 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -134.79 147.42 49.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.125 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.644 174.754 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.72 151.22 50.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.252 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.26 130.68 3.19 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.212 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -114.73 -80.91 0.6 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.624 0.25 . . . . 0.0 111.421 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -123.64 -29.43 3.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.801 0.334 . . . . 0.0 111.647 -173.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -64.9 -21.82 66.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.913 -173.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 49.4 mtp85 -77.21 -29.15 54.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.081 0.467 . . . . 0.0 110.512 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -73.56 -32.57 64.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.983 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.73 -40.93 66.54 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.421 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.5 98.72 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 121.283 0.563 . . . . 0.0 111.011 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.498 HD21 ' HG3' ' A' ' 94' ' ' GLN . 39.2 tp -71.89 -41.12 68.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.847 -177.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.39 -34.03 77.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.657 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -58.86 -48.53 81.04 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.681 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.523 ' O ' HG23 ' B' ' 18' ' ' VAL . 22.6 tp60 -61.77 -40.13 94.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.644 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.77 -47.6 87.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.542 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.58 -35.13 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.788 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 17' ' ' ARG . 19.8 ttt180 -62.91 -39.85 95.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.672 178.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' B' ' 14' ' ' GLN . 60.8 t -64.83 -47.01 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.957 176.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.81 -33.69 87.67 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.348 178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -63.28 -37.16 86.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.941 0.4 . . . . 0.0 110.76 178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.76 64.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.989 0.423 . . . . 0.0 110.618 177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.638 ' HA ' HD21 ' B' ' 28' ' ' LEU . 92.1 mt -80.42 -26.66 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.333 -179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 78.07 0.84 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.481 0.658 . . . . 0.0 111.798 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -162.31 -52.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.942 175.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.86 -72.02 0.21 Allowed Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.842 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -83.31 -12.33 56.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 122.435 -0.45 . . . . 0.0 111.959 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -69.09 -22.24 64.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.264 0.554 . . . . 0.0 109.609 169.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.638 HD21 ' HA ' ' B' ' 22' ' ' LEU . 42.3 mt -80.74 -9.06 59.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.649 -177.385 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -58.3 -30.6 66.77 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 121.135 0.493 . . . . 0.0 109.687 174.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.0 mt -65.42 -47.5 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.288 175.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.507 HD12 HD22 ' B' ' 28' ' ' LEU . 87.4 mt -60.41 -43.19 96.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.022 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.45 -42.58 98.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 0.0 110.187 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.14 -43.21 99.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.697 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 75.8 mt -72.94 -18.97 61.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.246 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.56 67.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.22 0.533 . . . . 0.0 109.808 173.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -77.55 -45.6 24.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.055 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -170.11 151.11 15.89 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.323 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.52 ' CB ' ' HB3' ' B' ' 80' ' ' ARG . 4.8 pt-20 -76.04 133.34 40.38 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -146.72 159.19 43.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.63 0.252 . . . . 0.0 110.677 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.631 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -82.14 169.58 16.47 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.923 0.392 . . . . 0.0 111.701 -176.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -53.13 -44.91 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.328 -0.851 . . . . 0.0 112.541 -175.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.88 -47.75 83.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.641 0.258 . . . . 0.0 110.798 -176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.89 -47.89 83.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 86.7 mt -58.98 -49.59 82.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.76 -49.69 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.142 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 19.9 m -62.22 -43.64 98.37 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.169 -177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.83 69.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.868 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -93.66 -7.95 42.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.814 0.34 . . . . 0.0 111.312 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 35.61 25.75 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.838 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.0 ptp -131.83 170.7 14.48 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -91.04 170.72 9.8 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 121.061 -0.255 . . . . 0.0 110.576 -179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.34 -42.01 99.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.156 -175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.5 p -65.37 -41.66 93.53 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.013 0.435 . . . . 0.0 110.678 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.21 -51.33 70.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.383 177.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.22 -43.44 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.58 -0.737 . . . . 0.0 111.322 -178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 57.5 m -58.16 -36.9 73.71 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.687 0.255 . . . . 0.0 111.687 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.45 -43.1 77.79 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.043 0.449 . . . . 0.0 110.812 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -68.05 -43.48 78.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.988 179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.544 HD13 ' CD1' ' B' ' 79' ' ' TYR . 90.2 mt -60.08 -39.85 87.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.183 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -64.59 -40.44 95.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.428 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.87 97.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.819 0.342 . . . . 0.0 110.739 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 98.9 mt -66.13 -39.12 89.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' B' ' 68' ' ' VAL . 75.6 tttt -67.72 -38.08 83.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.905 0.384 . . . . 0.0 110.302 178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.9 m -66.24 -27.43 67.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.553 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.0 -26.62 64.05 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.499 174.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.95 20.71 10.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.351 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' B' ' 86' ' ' VAL . 3.5 mm? -89.78 -49.27 6.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.736 0.303 . . . . 0.0 111.471 -177.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' B' ' 63' ' ' LYS . 29.6 m -115.79 162.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.126 0.489 . . . . 0.0 112.031 -174.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' B' ' 82' ' ' ALA . 0.0 OUTLIER -124.6 152.62 43.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.915 176.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.69 114.37 28.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.207 0.527 . . . . 0.0 111.297 -174.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.634 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 19.4 mmm180 -103.95 94.91 5.66 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.543 178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' B' ' 77' ' ' GLN . 56.2 ttt180 -78.69 122.72 26.34 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.906 -0.717 . . . . 0.0 110.424 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -135.32 128.37 31.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 174.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.4 -115.32 6.97 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.47 -172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 15.1 t -116.28 -6.17 11.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.932 0.396 . . . . 0.0 110.592 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.623 ' HG3' HH11 ' B' ' 76' ' ' ARG . 8.9 ptt85 -117.53 149.05 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.056 0.455 . . . . 0.0 110.943 -176.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' B' ' 72' ' ' ARG . 24.1 mt-30 -98.72 131.8 44.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.218 0.532 . . . . 0.0 111.056 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.634 ' HB2' ' HB2' ' B' ' 71' ' ' ARG . 80.4 m-85 -89.08 129.99 35.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.026 170.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.544 ' CD1' HD13 ' B' ' 59' ' ' LEU . 27.0 m-85 -108.45 136.57 47.85 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 121.317 0.58 . . . . 0.0 110.534 177.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.52 ' HB3' ' CB ' ' B' ' 38' ' ' GLU . 15.8 ptm180 -148.07 168.67 21.77 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.988 -1.005 . . . . 0.0 109.106 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 56.9 mt -68.02 134.08 30.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' B' ' 69' ' ' GLU . . . -55.02 -42.67 72.88 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.548 0.53 . . . . 0.0 111.995 -173.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.21 169.78 30.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.019 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -71.47 -29.33 64.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.161 0.505 . . . . 0.0 109.724 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -63.61 -44.74 93.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.394 175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' B' ' 67' ' ' LEU . 45.9 t -65.57 -38.96 83.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.61 176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.27 -47.05 87.79 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.17 0.509 . . . . 0.0 110.456 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -64.3 -34.65 78.62 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.931 178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.46 HD11 ' HB ' ' A' ' 93' ' ' VAL . 7.3 tt -61.4 -49.27 77.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.088 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' B' ' 28' ' ' LEU . 86.2 t80 -64.75 -43.39 93.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.646 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.482 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -61.23 -46.95 88.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 63.1 tp -54.3 -53.11 58.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.655 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 15' ' ' VAL . 13.8 p -64.45 -35.07 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.182 -175.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -72.11 -40.53 68.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.482 HG23 ' O ' ' B' ' 91' ' ' ALA . 53.3 t -61.6 -50.89 78.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.457 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -66.08 -31.09 52.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.677 0.275 . . . . 0.0 111.048 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.28 -56.02 11.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.385 176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.414 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 9.6 t70 -57.92 -34.7 70.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.267 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.74 -51.03 71.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -89.78 -3.61 58.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.721 0.296 . . . . 0.0 111.364 -173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.34 -14.36 53.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.457 0.646 . . . . 0.0 109.634 171.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -101.53 -51.7 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 171.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.0 90.8 3.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.161 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -168.6 130.76 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 68.36 149.12 0.06 Allowed 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.156 0.503 . . . . 0.0 110.059 -176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -83.19 -158.65 0.3 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -95.67 95.63 8.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 169.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 74.7 t60 . . . . . 0 C--O 1.243 0.747 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.822 -170.19 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.934 0.397 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.89 155.96 19.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.043 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -126.31 -159.76 10.36 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.413 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -83.02 113.16 20.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.982 0.42 . . . . 0.0 110.282 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -108.77 7.35 26.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.06 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.52 -24.54 56.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.013 -0.54 . . . . 0.0 112.198 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -70.06 -40.61 74.97 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -61.71 -48.78 79.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.727 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.91 -31.33 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.113 179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.27 86.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.586 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' VAL . 88.0 mt -66.71 -38.71 87.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.167 0.508 . . . . 0.0 109.918 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.21 -28.37 70.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.682 177.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.09 -33.39 61.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.234 179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -67.23 -40.6 86.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 174.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.724 HG12 HD21 ' B' ' 22' ' ' LEU . 87.6 t -61.96 -42.28 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.276 174.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.67 -38.06 89.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.774 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -57.37 -54.85 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -69.79 -29.6 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 0.0 110.852 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.443 ' HA3' HD22 ' B' ' 22' ' ' LEU . . . -68.03 -41.57 87.03 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.268 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 64.7 mtpt -69.15 -32.39 71.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.636 0.255 . . . . 0.0 111.145 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.26 -33.21 73.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.052 0.453 . . . . 0.0 110.377 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HA ' HD21 ' A' ' 28' ' ' LEU . 8.6 tt -87.49 -14.16 41.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.281 0.563 . . . . 0.0 110.476 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.41 -6.36 53.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.543 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -92.23 92.65 8.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.124 178.343 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . -60.75 -30.54 72.88 Favored Glycine 0 N--CA 1.453 -0.19 0 CA-C-N 115.542 -0.754 . . . . 0.0 113.209 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 mmt85 -73.26 -22.38 60.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.92 0.391 . . . . 0.0 110.506 -177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -94.3 -15.8 24.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.999 0.428 . . . . 0.0 110.371 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 90.7 mt -69.83 -24.5 63.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.84 179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.522 ' OE1' HG22 ' A' ' 48' ' ' THR . 22.6 tm0? -61.57 -33.28 73.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.799 176.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.42 -39.29 78.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.207 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.52 HD11 HD23 ' A' ' 67' ' ' LEU . 77.8 mt -60.98 -44.93 96.66 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.558 176.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -59.23 -39.35 82.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.403 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.9 tp -68.11 -37.66 81.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HD11 ' A' ' 44' ' ' ILE . 84.9 mt -77.41 -24.91 50.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.151 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.62 -23.74 64.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.216 0.531 . . . . 0.0 110.152 175.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -87.59 0.91 54.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.782 178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 145.56 148.84 4.89 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.41 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -71.27 140.88 50.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 5.5 ttm180 -146.99 150.02 34.31 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.535 -167.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.605 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -81.74 157.04 24.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.84 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 77' ' ' GLN . 98.4 t -53.02 -45.53 52.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 O-C-N 123.427 0.454 . . . . 0.0 111.988 -177.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.64 -43.49 98.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.171 0.51 . . . . 0.0 110.578 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB3' ' HG2' ' A' ' 39' ' ' ARG . . . -69.86 -36.01 75.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.535 -179.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 40' ' ' ALA . 85.3 mt -64.74 -50.25 76.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.124 175.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.22 76.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.508 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.9 m -63.9 -49.84 71.09 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.0 -32.18 72.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.72 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.522 HG22 ' OE1' ' A' ' 29' ' ' GLN . 40.5 p -83.31 -14.31 53.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.963 0.411 . . . . 0.0 111.237 -179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.84 31.96 51.62 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.149 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 57.4 mtt -116.47 -178.82 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.964 0.412 . . . . 0.0 110.239 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -94.5 161.6 14.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.0 mp -56.94 -50.52 72.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.632 0.253 . . . . 0.0 111.188 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.9 m -59.47 -42.41 91.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.702 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -59.13 -53.61 56.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.82 85.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.823 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -61.23 -35.87 78.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.7 -42.98 81.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.822 0.344 . . . . 0.0 111.082 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -69.36 -39.16 78.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.429 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.509 HD13 ' CD1' ' A' ' 79' ' ' TYR . 68.4 mt -65.17 -41.0 95.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 177.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.82 -39.56 81.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.589 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.81 -44.97 91.68 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.759 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.9 mt -65.28 -33.75 76.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.13 0.49 . . . . 0.0 110.237 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.55 -46.71 78.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.317 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 p -66.01 -29.64 70.04 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.223 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.83 -35.09 84.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.458 -0.877 . . . . 0.0 111.469 173.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.35 16.27 10.51 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.415 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.628 ' HA ' HG11 ' A' ' 86' ' ' VAL . 8.1 mp -88.81 -47.27 8.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.719 0.295 . . . . 0.0 111.757 -177.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.91 157.7 20.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.977 0.417 . . . . 0.0 111.462 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.86 157.41 28.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.987 177.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.31 114.98 26.66 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.824 0.345 . . . . 0.0 111.253 -176.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -102.86 104.88 15.17 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 176.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -88.27 116.85 26.77 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.964 0.412 . . . . 0.0 110.864 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -111.77 94.05 4.76 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.556 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 75.93 -111.72 3.39 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.558 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.5 p -104.21 -4.93 22.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.684 0.278 . . . . 0.0 111.222 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -103.0 137.74 40.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.959 0.409 . . . . 0.0 110.523 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 41' ' ' VAL . 43.9 tt0 -107.43 113.13 26.29 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.644 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 50.3 m-85 -97.32 147.81 23.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.32 -179.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CD1' HD13 ' A' ' 59' ' ' LEU . 19.1 m-85 -122.91 143.2 50.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.289 0.566 . . . . 0.0 111.262 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 80' ' ' ARG . 26.0 ttt85 -150.26 156.82 42.27 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.955 -1.02 . . . . 0.0 108.823 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 87' ' ' ALA . 55.2 mt -60.82 129.36 23.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.92 -33.81 74.93 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.494 -171.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -149.3 154.14 25.59 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.393 -0.908 . . . . 0.0 112.168 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -65.4 -34.17 77.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -63.3 -40.8 98.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.58 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 67' ' ' LEU . 57.5 t -64.49 -43.74 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.175 0.512 . . . . 0.0 110.326 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 81' ' ' ILE . . . -62.48 -46.0 90.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -70.92 -24.07 62.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 93' ' ' VAL . 6.1 tt -64.66 -55.01 22.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 175.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -60.83 -38.21 84.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.435 178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.49 89.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.42 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.5 tt -60.84 -44.15 97.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.985 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 89' ' ' LEU . 73.1 t -58.61 -40.61 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.606 177.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.413 ' HA ' ' CG1' ' B' ' 15' ' ' VAL . 34.3 tt0 -62.16 -45.35 93.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.731 178.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.77 -47.11 94.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.926 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 92' ' ' LEU . 92.7 t -58.45 -39.49 75.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.57 74.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.1 -40.41 85.24 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.598 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -60.13 -36.55 77.74 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.609 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -79.18 -21.7 46.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.41 -176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 88.7 mt -69.9 -31.39 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.405 . . . . 0.0 110.357 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -79.84 84.66 5.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.155 175.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -74.0 -35.39 64.4 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 178.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -95.95 121.92 38.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.611 173.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -92.63 -158.4 0.59 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.632 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -63.53 -39.91 95.64 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 51.54 -174.36 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 O-C-N 124.475 1.109 . . . . 0.0 113.476 171.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 . . . . . 0 C--O 1.245 0.832 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.788 177.268 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.4 mtm . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.37 146.37 50.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.92 0.391 . . . . 0.0 111.072 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.27 -39.94 0.28 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -91.53 -79.44 0.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.9 m 48.58 51.91 14.69 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.451 0.643 . . . . 0.0 111.072 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -64.61 -33.21 75.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.853 -173.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' B' ' 7' ' ' ARG . 9.3 ttp180 -71.91 -37.15 70.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.549 -174.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -68.69 -35.06 76.69 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.487 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.54 77.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.889 0.376 . . . . 0.0 110.438 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.03 -33.26 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.747 177.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.65 -43.12 94.66 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.013 0.435 . . . . 0.0 110.624 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.18 -32.85 72.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.041 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.6 -36.37 68.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -64.27 -46.22 84.66 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.163 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.422 HG23 HD13 ' A' ' 28' ' ' LEU . 34.3 m -67.68 -31.03 50.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.545 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -33.34 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.54 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.1 ttt180 -64.82 -38.37 90.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.322 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.13 -47.81 83.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.984 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.91 -34.47 89.95 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.405 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -68.72 -31.04 69.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.54 ' HB2' ' HA3' ' B' ' 65' ' ' GLY . . . -69.33 -31.95 70.74 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.217 0.532 . . . . 0.0 110.146 176.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.724 HD21 HG12 ' A' ' 15' ' ' VAL . 10.1 tt -76.07 -35.84 59.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.618 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.509 ' HB1' ' HG2' ' A' ' 20' ' ' LYS . . . -77.52 76.45 4.06 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.863 -178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.411 ' HB3' ' HD2' ' B' ' 27' ' ' ARG . 36.4 m-80 -133.19 -45.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.05 -107.29 1.37 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.46 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -65.03 -21.04 66.78 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.781 0.324 . . . . 0.0 111.764 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.411 ' HD2' ' HB3' ' B' ' 24' ' ' ASN . 100.0 mtt180 -67.4 -15.95 63.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.833 0.349 . . . . 0.0 111.148 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.71 -24.6 62.68 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.419 . . . . 0.0 110.519 176.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -68.15 -24.53 65.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.154 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 62.4 mt -72.89 -37.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.143 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.437 HD11 HD23 ' B' ' 67' ' ' LEU . 84.2 mt -61.53 -41.6 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.462 . . . . 0.0 109.772 176.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -60.4 -41.94 94.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.584 176.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.434 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 16.0 tp -67.61 -35.89 79.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.557 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 90.2 mt -80.53 -19.95 44.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.964 0.411 . . . . 0.0 111.124 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.85 62.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.334 0.588 . . . . 0.0 109.959 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.682 ' HB2' HH21 ' B' ' 39' ' ' ARG . 51.2 mt-30 -77.8 -21.13 52.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.711 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 161.09 168.29 22.75 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.792 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -77.43 125.2 28.95 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.682 HH21 ' HB2' ' B' ' 36' ' ' GLN . 48.4 mtt-85 -132.24 149.0 52.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.025 0.44 . . . . 0.0 111.538 -173.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.591 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -80.99 160.29 24.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.39 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.09 -44.17 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.722 0.296 . . . . 0.0 111.231 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.478 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.9 mm-40 -59.3 -38.51 80.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.45 -48.24 56.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.406 179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.41 HG13 ' O ' ' B' ' 40' ' ' ALA . 77.7 mt -57.95 -50.08 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.017 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.15 -46.46 89.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.308 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 33.2 m -65.35 -43.91 89.36 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.958 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.09 -31.38 72.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.813 -177.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -96.15 -9.22 31.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.688 0.28 . . . . 0.0 111.614 -177.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 71.8 35.3 62.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.169 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 78.9 mtm -121.96 169.45 10.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -88.42 155.85 19.45 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.752 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' B' ' 42' ' ' GLU . 92.9 mt -54.35 -47.88 72.09 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.605 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.2 p -59.2 -49.66 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.273 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 11.5 m -56.55 -46.52 80.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.864 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.412 ' HA ' ' ND2' ' B' ' 58' ' ' ASN . . . -64.4 -55.67 19.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -56.15 -40.97 74.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.405 -176.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.63 -51.2 68.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.477 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.452 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 5.5 p30 -74.92 -26.32 59.54 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.712 -176.144 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' B' ' 79' ' ' TYR . 74.3 mt -64.62 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.006 0.432 . . . . 0.0 110.295 175.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -66.78 -38.35 86.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.142 0.496 . . . . 0.0 109.995 175.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.61 -44.75 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.643 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 94.6 mt -64.07 -32.83 74.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.906 179.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -66.33 -38.63 88.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 110.174 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -66.21 -25.81 67.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.721 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' B' ' 21' ' ' ALA . . . -79.25 -16.29 78.64 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.16 175.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.82 16.16 49.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.963 -0.637 . . . . 0.0 112.312 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.437 HD23 HD11 ' B' ' 31' ' ' LEU . 10.3 mp -90.74 -45.55 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 -176.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.56 165.97 23.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.962 0.41 . . . . 0.0 111.565 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.47 167.91 20.91 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 175.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' B' ' 79' ' ' TYR . . . -117.23 144.01 45.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.188 0.518 . . . . 0.0 111.618 -175.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.507 ' HB2' ' HB2' ' B' ' 78' ' ' TYR . 31.0 mmm-85 -116.89 100.28 7.67 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.914 175.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -78.97 96.38 5.72 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -114.15 112.03 22.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.426 -173.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.22 -103.46 0.66 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.182 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -124.64 19.84 8.65 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.082 0.468 . . . . 0.0 110.961 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 76' ' ' ARG . 62.0 mtt85 -124.81 151.67 44.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.805 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -111.44 107.94 17.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.969 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.591 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 91.9 m-85 -99.87 148.85 24.01 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.121 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.468 ' CD1' HD13 ' B' ' 59' ' ' LEU . 45.5 m-85 -129.71 148.09 51.56 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.596 173.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -160.38 160.77 32.71 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.461 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 68.5 mt -57.89 133.73 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.58 -41.81 77.58 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -172.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -165.52 179.22 40.02 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.772 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -58.72 -35.43 72.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.965 0.412 . . . . 0.0 110.686 -179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.41 -47.13 82.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.119 -178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 21.7 t -69.39 -39.91 79.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.378 . . . . 0.0 110.425 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.94 98.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.957 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -74.43 -34.8 63.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.708 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.89 -48.85 77.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.13 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.76 -39.64 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.488 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -64.83 -46.86 80.17 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.387 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.84 -46.13 90.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.77 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.523 ' HA ' HG12 ' B' ' 96' ' ' VAL . 7.6 p -69.05 -29.76 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 120.896 0.379 . . . . 0.0 110.954 -177.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -69.62 -44.69 70.16 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.254 174.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.488 HG23 ' O ' ' B' ' 91' ' ' ALA . 99.1 t -62.9 -43.72 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.316 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' B' ' 93' ' ' VAL . 11.2 p -62.76 -37.17 78.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.723 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.36 -48.57 33.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.135 0.493 . . . . 0.0 110.733 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -63.99 -48.22 77.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.62 -174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -83.44 -22.02 32.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -171.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -82.77 -25.42 32.81 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 122.221 -0.299 . . . . 0.0 111.403 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -73.69 -20.66 60.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.856 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -66.49 102.14 0.85 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.838 0.352 . . . . 0.0 110.219 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -67.23 -24.89 65.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 0.0 110.128 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -91.59 86.7 6.09 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 55.8 m80 -77.75 -55.91 4.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.638 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -139.49 143.08 37.32 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 40.2 p-80 -100.56 -21.47 15.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.719 0.295 . . . . 0.0 110.369 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.457 -0.783 . . . . 0.0 109.582 -179.451 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 120.776 0.322 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -86.4 -56.45 3.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.54 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -151.67 -36.65 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.098 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.538 ' HG2' ' H ' ' A' ' 6' ' ' ASP . 64.3 tt0 70.93 151.93 0.11 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.232 0.613 . . . . 0.0 111.048 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 m -69.28 -36.26 76.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.032 0.444 . . . . 0.0 110.469 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.538 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 4.7 t0 -84.24 53.78 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.429 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -64.5 -22.65 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.89 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 pttm -64.62 -22.56 67.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.54 -179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.95 -26.7 67.71 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.928 0.394 . . . . 0.0 110.537 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.59 -34.83 53.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.307 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' VAL . 89.8 mt -71.32 -41.96 69.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.224 0.535 . . . . 0.0 109.652 177.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 98.3 mt -69.22 -20.71 63.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.348 177.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -70.02 -44.34 69.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 174.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.426 HE22 ' HD3' ' A' ' 17' ' ' ARG . 25.7 tp60 -64.89 -41.66 95.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.03 175.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 11' ' ' LEU . 72.8 t -60.38 -45.41 96.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.44 174.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' O ' ' HB2' ' A' ' 20' ' ' LYS . . . -64.39 -20.96 66.47 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.593 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HD3' HE22 ' A' ' 14' ' ' GLN . 45.5 ttt180 -79.72 -42.27 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.943 0.402 . . . . 0.0 110.264 176.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.2 t -69.04 -46.79 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.034 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.92 -32.31 82.29 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.128 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' ALA . 88.8 tttt -64.34 -37.51 87.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.042 0.449 . . . . 0.0 110.713 177.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 -38.0 65.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.314 176.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 22' ' ' LEU . 42.6 tp -90.73 25.06 2.47 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.638 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.11 27.77 0.24 Allowed 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.219 0.533 . . . . 0.0 110.675 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.849 HD22 HD11 ' A' ' 28' ' ' LEU . 7.0 m120 63.56 -156.86 0.32 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.581 167.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.63 -154.64 20.37 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.39 -176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -65.79 -11.3 44.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.27 0.557 . . . . 0.0 110.912 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.489 ' HG2' ' HB3' ' A' ' 58' ' ' ASN . 66.6 mtm180 -70.04 -25.31 63.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.461 179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.849 HD11 HD22 ' A' ' 24' ' ' ASN . 70.0 mt -71.08 -27.92 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.271 -176.175 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -69.3 -32.25 71.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 109.743 176.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.559 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 67.0 mt -67.52 -47.71 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.889 175.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD12 HD23 ' A' ' 28' ' ' LEU . 94.5 mt -60.31 -40.15 89.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.585 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.44 -31.43 69.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.781 177.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.528 ' HG ' ' HG3' ' A' ' 39' ' ' ARG . 56.8 tp -83.2 -35.09 25.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.203 178.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 74.2 mt -75.07 -29.07 60.58 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.824 0.345 . . . . 0.0 111.293 -177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.87 -25.13 65.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.945 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -98.09 15.11 25.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.06 153.53 6.44 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.608 175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.586 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 9.8 pt-20 -71.8 132.79 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.811 0.339 . . . . 0.0 110.398 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG3' ' HG ' ' A' ' 33' ' ' LEU . 16.2 mmt180 -128.56 146.48 50.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.251 -175.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 159.25 31.67 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -51.3 -46.04 33.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 123.351 0.407 . . . . 0.0 111.669 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -38.08 89.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.75 -43.41 75.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.434 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.23 -47.94 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.242 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.93 -47.66 77.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.266 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.5 m -63.15 -49.35 74.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.134 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.13 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -174.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.0 p -85.92 -15.07 42.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.834 0.349 . . . . 0.0 111.474 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.12 14.29 80.75 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.262 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 68.4 mtm -119.69 122.87 42.44 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -68.13 167.56 13.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.869 0.366 . . . . 0.0 111.486 -172.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.07 -41.92 36.98 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -168.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.7 m -56.21 -55.37 34.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.797 0.332 . . . . 0.0 111.492 -178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 17.6 m -65.84 -40.22 91.54 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.094 0.474 . . . . 0.0 110.539 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.35 65.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.129 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.2 m -59.43 -40.35 86.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.783 -176.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.9 91.91 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.061 0.458 . . . . 0.0 110.932 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.489 ' HB3' ' HG2' ' A' ' 27' ' ' ARG . 41.0 m-80 -75.66 -37.57 59.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.043 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.37 -46.2 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 111.0 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -61.17 -42.02 97.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.266 178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.96 -42.56 90.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 67' ' ' LEU . 93.3 mt -67.34 -35.18 78.87 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.068 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -75.12 -37.32 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -67.15 -29.27 68.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.044 0.449 . . . . 0.0 110.416 175.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.71 -27.65 73.04 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 173.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.64 18.87 42.98 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 121.129 -0.558 . . . . 0.0 113.71 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.54 ' HG ' HG13 ' A' ' 68' ' ' VAL . 1.3 pt? -104.83 -13.27 15.91 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 118.002 0.901 . . . . 0.0 111.308 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.54 HG13 ' HG ' ' A' ' 67' ' ' LEU . 21.1 m -129.46 161.47 38.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 174.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.14 155.97 49.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.328 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' CE1' ' A' ' 79' ' ' TYR . . . -123.93 138.2 54.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.224 -178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -118.66 144.68 46.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.19 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mmt-85 -97.11 118.36 33.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.614 0.245 . . . . 0.0 110.926 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -126.35 105.35 8.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.002 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -103.08 1.21 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.749 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -115.7 -8.7 12.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.525 0.679 . . . . 0.0 109.882 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -97.63 152.2 19.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.642 0.734 . . . . 0.0 112.302 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -111.74 114.54 27.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.621 -1.172 . . . . 0.0 108.747 175.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -97.14 123.16 40.82 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.773 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.438 ' CE1' ' HB2' ' A' ' 70' ' ' ALA . 51.2 m-85 -101.91 143.19 32.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.785 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.586 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 38.6 ttp85 -155.55 163.19 40.3 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.452 ' CG2' ' HB ' ' A' ' 86' ' ' VAL . 47.3 mm -55.84 132.84 19.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.47 -36.62 76.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.771 0.32 . . . . 0.0 111.773 -174.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.93 155.19 26.05 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.067 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.88 -34.16 65.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.118 0.485 . . . . 0.0 111.074 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.77 -27.23 68.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.301 179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' ' 67' ' ' LEU . 46.9 t -76.38 -34.86 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.22 -39.47 89.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.933 175.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 88' ' ' ARG . 19.8 mtm105 -69.97 -29.61 66.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.029 175.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.447 ' HG ' HD23 ' B' ' 92' ' ' LEU . 6.2 tt -65.45 -47.97 74.31 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 175.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.09 -37.39 87.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.156 176.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.93 -44.17 93.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.681 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' O ' HG23 ' A' ' 96' ' ' VAL . 60.7 tp -58.7 -50.66 73.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.48 HG22 HG13 ' B' ' 15' ' ' VAL . 8.0 p -67.01 -29.97 48.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.044 0.45 . . . . 0.0 110.542 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -70.69 -36.45 73.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.909 176.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 91' ' ' ALA . 53.3 t -62.63 -41.66 93.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.245 174.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 92' ' ' LEU . 84.0 t -53.58 -41.87 47.91 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.157 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.35 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.33 -58.34 3.38 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.987 0.422 . . . . 0.0 111.143 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.51 -49.02 75.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.705 -171.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -84.11 -10.09 58.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -174.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 7.6 m-70 -88.41 -10.45 49.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.3 0.571 . . . . 0.0 109.822 173.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 105' ' ' HIS . 7.3 mp -76.85 -16.78 59.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 167.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 64.55 -87.42 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.795 169.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -127.2 -36.47 2.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.173 0.511 . . . . 0.0 109.833 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -137.36 -92.36 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 174.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 101' ' ' LEU . 11.9 t60 67.34 -22.8 0.11 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 166.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -82.62 80.23 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.674 0.75 . . . . 0.0 112.341 -171.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -86.39 85.87 7.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.42 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.621 -0.704 . . . . 0.0 109.946 -175.246 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.63 161.92 18.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.206 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.523 ' O ' ' HG2' ' B' ' 7' ' ' ARG . . . -76.51 70.01 2.25 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.644 -0.582 . . . . 0.0 111.644 176.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -106.13 -27.01 11.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.102 0.477 . . . . 0.0 110.912 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.6 p -110.93 6.98 21.53 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.475 0.655 . . . . 0.0 109.91 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.42 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . 2.6 p-10 -151.19 44.48 0.8 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.775 -170.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' B' ' 3' ' ' GLY . 72.2 mtt-85 -70.7 -53.42 15.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.696 -177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -67.7 -24.95 65.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.985 0.421 . . . . 0.0 110.277 178.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.42 ' HB3' ' HB2' ' B' ' 6' ' ' ASP . . . -64.66 -28.72 69.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.721 178.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -35.79 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.189 0.519 . . . . 0.0 110.211 175.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.462 ' O ' HG23 ' B' ' 15' ' ' VAL . 4.1 mm? -70.12 -44.46 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 176.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.51 -20.14 65.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 178.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -70.94 -46.45 62.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.095 0.474 . . . . 0.0 109.889 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -63.49 -44.89 93.06 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.615 HG12 ' ND2' ' A' ' 24' ' ' ASN . 81.5 t -59.24 -36.74 65.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.294 175.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.717 ' HA ' ' CG ' ' A' ' 24' ' ' ASN . . . -58.92 -41.65 87.81 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.625 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -68.12 -42.12 80.72 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.506 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.86 -51.93 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.267 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.36 72.61 Favored Glycine 0 C--O 1.226 -0.391 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.41 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -51.26 -39.26 56.35 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.816 0.446 . . . . 0.0 111.932 175.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.51 -34.56 65.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.887 0.375 . . . . 0.0 111.433 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 30.8 tp -91.9 2.75 56.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.966 0.412 . . . . 0.0 110.769 -176.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.22 -46.04 83.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.238 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.485 ' N ' HD22 ' B' ' 24' ' ' ASN . 0.1 OUTLIER -176.18 169.77 2.74 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.539 -174.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 131.8 169.64 12.4 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.752 -0.737 . . . . 0.0 113.433 173.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.472 ' HD2' ' SD ' ' B' ' 50' ' ' MET . 0.2 OUTLIER -78.74 -13.77 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.354 0.597 . . . . 0.0 109.647 179.585 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.587 ' HB3' ' HB3' ' B' ' 58' ' ' ASN . 16.9 ptt180 -60.63 -18.88 56.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.16 175.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.3 mt -67.77 -32.01 72.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.515 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -67.98 -28.79 67.74 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.459 0.647 . . . . 0.0 110.162 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.419 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 69.4 mt -69.32 -38.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.691 176.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.55 -38.62 88.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.288 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.64 -44.67 77.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.919 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.492 ' CD2' ' HA ' ' B' ' 44' ' ' ILE . 60.0 tp -72.25 -41.47 66.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.177 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 78.8 mt -67.84 -26.7 66.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.846 0.355 . . . . 0.0 111.268 -178.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.64 -10.46 59.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.192 0.52 . . . . 0.0 110.478 176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -102.62 12.1 36.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.161 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.26 150.76 7.17 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.172 177.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -71.76 139.17 48.93 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.712 ' HG2' ' HB3' ' B' ' 43' ' ' ALA . 14.7 ttm-85 -151.33 152.25 32.9 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.974 -171.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' B' ' 77' ' ' GLN . . . -80.47 159.89 25.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.975 -179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.46 -44.68 24.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.223 -176.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.555 ' HA ' HD11 ' B' ' 52' ' ' LEU . 2.0 mp0 -55.76 -51.53 67.07 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.156 -178.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.712 ' HB3' ' HG2' ' B' ' 39' ' ' ARG . . . -67.13 -36.85 82.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.769 -177.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.492 ' HA ' ' CD2' ' B' ' 33' ' ' LEU . 84.9 mt -61.2 -47.4 93.68 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.392 177.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.34 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.853 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.4 m -62.62 -46.64 87.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.045 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.65 -40.26 96.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.817 -176.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 8.9 p -86.28 -9.12 57.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.84 0.352 . . . . 0.0 111.468 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 73.25 25.82 72.11 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.161 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.472 ' SD ' ' HD2' ' B' ' 26' ' ' ARG . 68.7 mtm -107.62 171.29 7.47 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -78.43 151.0 32.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.096 178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' B' ' 42' ' ' GLU . 3.9 mm? -48.76 -46.16 40.86 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.586 176.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -67.49 -38.34 84.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.304 -177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 6.2 m -60.67 -48.52 81.41 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.201 0.525 . . . . 0.0 110.235 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.06 -49.38 76.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.687 178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.498 ' O ' ' HG3' ' B' ' 60' ' ' GLN . 45.2 t -57.04 -46.53 82.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.238 -178.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.93 81.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.845 0.355 . . . . 0.0 111.232 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.587 ' HB3' ' HB3' ' B' ' 27' ' ' ARG . 38.9 m-80 -71.92 -35.49 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.002 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.413 HD13 ' CD1' ' B' ' 79' ' ' TYR . 80.5 mt -62.8 -45.91 90.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.81 177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' B' ' 56' ' ' SER . 94.4 mt-30 -62.03 -38.16 87.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.42 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.32 88.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.758 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.1 -39.26 94.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.92 -33.0 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.885 0.374 . . . . 0.0 110.401 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 33.8 t -69.16 -28.51 66.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.35 -8.57 71.03 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.386 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.25 22.63 43.81 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.708 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -85.61 -42.92 13.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.884 0.374 . . . . 0.0 110.902 -179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.8 m -128.51 155.34 40.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.061 0.458 . . . . 0.0 111.868 -176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -108.98 161.9 14.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.57 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -127.49 119.13 25.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.112 0.482 . . . . 0.0 111.161 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -103.24 106.68 17.26 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 175.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' B' ' 72' ' ' ARG . 30.0 ttt180 -97.34 104.34 16.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.384 0.611 . . . . 0.0 111.167 -175.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -100.71 109.91 21.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.483 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.68 -129.69 30.6 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.471 -174.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 5.8 p -94.01 13.43 22.92 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.884 0.373 . . . . 0.0 111.469 178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 72.4 mtt85 -108.65 139.1 43.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.44 . . . . 0.0 111.159 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' B' ' 40' ' ' ALA . 27.3 mt-30 -112.05 103.99 12.21 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.128 179.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 90.0 m-85 -92.45 121.22 33.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.978 178.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.413 ' CD1' HD13 ' B' ' 59' ' ' LEU . 60.0 m-85 -100.9 147.44 26.12 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-O 121.215 0.531 . . . . 0.0 110.889 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' B' ' 80' ' ' ARG . 29.5 ttm180 -150.58 157.47 43.02 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 54.9 mt -60.43 131.11 25.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 174.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.48 -52.78 62.49 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.402 0.439 . . . . 0.0 111.907 -174.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -147.03 166.84 28.4 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.481 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 1.1 pm0 -68.84 -26.38 65.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.687 0.244 . . . . 0.0 110.389 -178.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -62.96 -41.92 99.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.945 0.403 . . . . 0.0 110.079 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.14 -40.59 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.073 176.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.62 -45.36 93.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.162 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' B' ' 84' ' ' GLU . 64.9 mtm-85 -71.86 -23.81 61.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.575 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.0 tt -68.63 -48.17 64.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -64.96 -34.88 79.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.411 177.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.462 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -70.09 -36.68 75.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 177.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.447 HD23 ' HG ' ' A' ' 89' ' ' LEU . 47.4 tp -63.94 -48.03 78.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.744 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 11.0 p -66.51 -27.7 41.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.972 0.415 . . . . 0.0 110.206 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.413 ' HB3' ' O ' ' B' ' 91' ' ' ALA . 7.2 tt0 -63.31 -43.7 97.09 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 175.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.462 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.2 t -63.75 -46.66 93.93 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.515 178.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 64.6 t -55.76 -38.42 51.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.655 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -71.72 -64.11 0.99 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' B' ' 102' ' ' GLU . 24.0 t70 -52.61 -45.0 66.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.384 -173.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -57.93 -29.57 65.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -96.7 -2.73 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -168.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.802 ' HA ' ' HB3' ' B' ' 105' ' ' HIS . 2.5 pt? -128.76 9.51 5.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.289 0.566 . . . . 0.0 109.959 170.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' B' ' 98' ' ' ASP . 1.2 tm-20 -68.0 -47.59 68.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.906 -174.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 46.3 m-70 -82.98 66.02 8.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.615 0.245 . . . . 0.0 111.251 -176.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 11.1 t60 57.77 29.62 17.7 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.657 173.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . 0.802 ' HB3' ' HA ' ' B' ' 101' ' ' LEU . 1.7 t-80 -94.64 23.05 5.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.479 0.657 . . . . 0.0 110.013 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -59.27 118.53 6.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.878 179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -92.79 -53.97 3.95 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 . . . . . 0 C--O 1.241 0.618 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.188 177.374 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.81 160.24 15.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.68 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.08 55.18 3.12 Favored Glycine 0 CA--C 1.521 0.447 0 CA-C-N 116.335 -0.393 . . . . 0.0 113.272 -177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -171.24 -73.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 175.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m 57.11 32.11 21.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.394 176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.6 t70 71.23 129.03 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.83 -176.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -76.98 -17.76 58.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.263 -173.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -81.66 -27.33 34.12 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.41 -35.3 77.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.949 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -30.54 66.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.7 176.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.7 mt -69.68 -42.19 74.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.276 179.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.96 -34.05 76.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.811 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.18 -42.08 94.0 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -68.18 -37.25 80.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.413 178.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 11' ' ' LEU . 97.1 t -63.47 -45.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.11 0.481 . . . . 0.0 109.726 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.42 -29.14 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.639 177.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.647 ' HG3' ' HA2' ' A' ' 65' ' ' GLY . 5.6 tpp180 -59.59 -53.56 56.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.213 0.53 . . . . 0.0 110.044 177.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 48.3 t -65.5 -40.31 87.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.794 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.67 -42.82 98.05 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.829 -0.623 . . . . 0.0 113.092 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 17' ' ' ARG . 16.7 ptpt -73.43 -23.49 60.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.03 0.415 . . . . 0.0 110.989 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 -33.31 58.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.988 0.423 . . . . 0.0 110.451 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.572 ' HA ' HD21 ' A' ' 28' ' ' LEU . 91.5 mt -78.64 -25.41 44.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.2 3.88 5.16 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -174.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' HD2' ' A' ' 27' ' ' ARG . 13.0 m120 -82.61 -36.38 26.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.582 0.23 . . . . 0.0 111.366 -176.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.515 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 76.65 -62.01 3.2 Favored Glycine 0 CA--C 1.519 0.303 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.059 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.9 mmm-85 -55.1 -45.87 75.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.315 0.579 . . . . 0.0 111.345 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.508 ' HD2' ' OD1' ' A' ' 24' ' ' ASN . 69.9 mtt180 -78.89 -9.21 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.582 -174.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 22' ' ' LEU . 97.5 mt -69.66 -22.91 63.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.122 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.489 ' OE1' ' HD3' ' B' ' 8' ' ' LYS . 10.6 mm100 -59.15 -34.83 72.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.637 175.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.484 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 61.0 mt -70.62 -41.22 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.098 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 28' ' ' LEU . 83.8 mt -63.54 -43.82 95.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.955 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.46 -26.98 68.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.659 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.538 ' CD1' ' HG3' ' A' ' 39' ' ' ARG . 2.3 tm? -82.73 -38.25 23.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.063 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 65.6 mt -77.0 -10.41 59.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 111.431 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.92 -16.29 64.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.059 0.457 . . . . 0.0 110.587 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -78.61 -31.94 47.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.637 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 156.18 -136.58 5.09 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.756 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.645 ' HB3' ' HD2' ' A' ' 80' ' ' ARG . 9.3 pt-20 -105.12 123.69 48.26 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.985 0.421 . . . . 0.0 110.422 -178.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.538 ' HG3' ' CD1' ' A' ' 33' ' ' LEU . 26.5 mmt180 -124.26 143.26 50.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.643 -177.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.421 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -72.2 153.29 41.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.266 177.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.7 -43.39 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 111.112 -178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.531 ' HA ' HD11 ' A' ' 52' ' ' LEU . 1.5 mp0 -64.42 -37.82 88.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.465 -179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.36 77.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.533 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' ALA . 82.5 mt -59.45 -47.29 91.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.442 178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.15 -49.16 78.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.6 m -62.73 -46.46 87.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.04 -36.63 84.22 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.793 0.33 . . . . 0.0 111.547 -177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.6 p -84.29 -16.56 42.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.713 0.292 . . . . 0.0 111.406 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.21 24.61 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.337 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 77.8 mtm -126.8 171.32 11.32 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 35.0 p30 -92.08 167.64 11.93 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.82 -178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.531 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.5 mm? -63.37 -41.75 98.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.245 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.5 p -61.49 -46.83 88.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.297 . . . . 0.0 111.764 -176.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.4 m -72.61 -40.48 66.47 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.569 0.223 . . . . 0.0 110.585 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.82 -48.6 81.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.474 -179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 p -65.79 -35.53 80.96 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.784 0.325 . . . . 0.0 110.79 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.05 95.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.976 0.417 . . . . 0.0 110.439 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -67.71 -39.9 84.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.409 177.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.0 mt -60.99 -40.27 92.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.288 176.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.59 -39.92 92.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.344 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.53 95.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.862 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.52 -34.92 77.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.28 0.562 . . . . 0.0 110.939 177.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -78.72 -26.97 44.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.413 178.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.9 m -67.22 -37.56 83.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.647 ' HA2' ' HG3' ' A' ' 17' ' ' ARG . . . -67.3 -24.17 73.47 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 171.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.8 43.84 13.67 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.309 -0.472 . . . . 0.0 112.76 176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.669 ' HB2' HG11 ' A' ' 86' ' ' VAL . 1.4 pt? -125.06 3.97 7.95 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.063 -0.655 . . . . 0.0 112.162 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.75 148.43 25.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.877 0.37 . . . . 0.0 110.79 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -121.11 160.97 22.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.511 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -123.0 129.41 51.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.548 -176.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.84 105.91 14.51 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 173.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.476 ' HB3' ' HG2' ' A' ' 77' ' ' GLN . 21.4 ptt85 -89.92 137.14 32.58 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.203 0.525 . . . . 0.0 110.859 -178.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -139.05 112.94 8.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.146 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.84 -107.53 2.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.47 -175.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.9 t -119.16 7.78 11.4 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.038 0.447 . . . . 0.0 110.089 176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -103.14 148.18 26.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.849 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.476 ' HG2' ' HB3' ' A' ' 72' ' ' ARG . 26.0 mt-30 -121.8 116.0 23.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 175.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -95.6 116.67 29.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.171 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 35.3 m-85 -99.55 145.43 27.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.006 0.432 . . . . 0.0 110.308 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.645 ' HD2' ' HB3' ' A' ' 38' ' ' GLU . 12.3 ptm180 -154.41 164.59 38.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.06 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 47.8 mm -61.14 135.02 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.035 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.12 83.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.67 167.37 33.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.274 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -66.78 -30.59 70.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.654 0.264 . . . . 0.0 110.999 -177.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -66.71 -29.91 70.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.669 HG11 ' HB2' ' A' ' 67' ' ' LEU . 43.4 t -77.11 -39.04 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.762 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.93 94.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.305 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -67.75 -26.49 66.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.115 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.24 -51.59 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -66.39 -34.03 77.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.872 0.368 . . . . 0.0 110.175 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.61 -44.74 85.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.206 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.1 tt -58.97 -51.51 69.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.446 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.627 HG12 HD11 ' B' ' 89' ' ' LEU . 19.1 m -65.01 -28.99 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 120.795 0.331 . . . . 0.0 110.894 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -72.66 -38.04 67.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 91' ' ' ALA . 82.0 t -64.23 -37.0 78.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.075 174.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' LEU . 88.9 t -61.37 -45.06 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.577 174.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.435 ' HB2' HG13 ' B' ' 15' ' ' VAL . . . -71.21 -15.38 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.739 0.304 . . . . 0.0 111.098 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -90.96 -70.8 0.66 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.378 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -92.79 -34.35 13.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.691 -173.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.407 ' HB3' ' O ' ' A' ' 96' ' ' VAL . 41.1 t-80 -76.29 -21.09 56.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.972 0.415 . . . . 0.0 110.649 -175.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.94 -17.41 59.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.712 175.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.482 ' HG2' ' H ' ' A' ' 104' ' ' HIS . 34.8 tt0 73.07 139.46 0.06 Allowed 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.86 178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -105.22 24.26 12.36 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.153 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.482 ' H ' ' HG2' ' A' ' 102' ' ' GLU . 60.2 t-80 -75.32 -40.51 58.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.578 -179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -59.08 98.44 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.727 0.775 . . . . 0.0 110.927 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -155.94 113.92 3.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.145 -178.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -126.97 4.23 6.53 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.935 0.398 . . . . 0.0 110.799 -176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 37.9 t-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.94 178.861 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.03 -39.53 19.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.376 0.608 . . . . 0.0 109.663 176.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.44 -154.5 8.36 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.039 175.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.902 HE21 ' HA ' ' B' ' 4' ' ' GLN . 0.0 OUTLIER -85.89 85.74 7.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.156 0.503 . . . . 0.0 109.949 179.417 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -72.0 -32.93 67.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.516 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -143.99 146.42 32.9 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 51.9 mtp85 -88.84 -45.22 9.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.878 0.37 . . . . 0.0 111.191 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.489 ' HD3' ' OE1' ' A' ' 29' ' ' GLN . 82.5 mttt -68.98 -36.93 78.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.43 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -53.29 -28.44 28.06 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.36 0.412 . . . . 0.0 111.924 -178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.16 -38.61 15.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.966 0.413 . . . . 0.0 110.87 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 93.1 mt -73.92 -42.72 60.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.999 -175.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.408 ' HA ' HG22 ' B' ' 15' ' ' VAL . 85.8 mt -69.34 -31.21 69.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -178.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -68.27 -37.91 81.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 6.3 tp-100 -65.8 -47.17 75.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.809 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' A' ' 97' ' ' ALA . 25.9 m -70.73 -31.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.072 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.32 -24.56 65.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.096 0.474 . . . . 0.0 110.264 175.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.576 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 42.4 ttm180 -70.88 -42.36 70.12 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.966 174.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 52.5 t -58.79 -52.69 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.355 176.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.84 -36.69 92.42 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.039 -0.601 . . . . 0.0 112.352 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? -67.32 -28.97 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.525 0.203 . . . . 0.0 111.08 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.34 -20.69 47.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.907 0.384 . . . . 0.0 110.609 177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 88.0 mt -85.7 -31.96 22.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.39 84.06 1.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.208 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -169.95 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.834 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.456 ' HA2' HD12 ' B' ' 28' ' ' LEU . . . 100.34 -53.04 0.94 Allowed Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.474 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -57.72 -41.19 81.28 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -83.11 -13.38 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.04 0.448 . . . . 0.0 110.488 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.456 HD12 ' HA2' ' B' ' 25' ' ' GLY . 90.7 mt -72.41 -26.34 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.811 176.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -60.5 -31.98 71.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.111 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.427 HG21 HD21 ' B' ' 59' ' ' LEU . 65.6 mt -69.16 -43.68 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.328 178.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.37 -42.24 96.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.624 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.8 -33.98 76.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.429 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.541 ' O ' ' HG2' ' B' ' 36' ' ' GLN . 31.9 tp -75.43 -48.09 24.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.828 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.41 HD21 HD11 ' B' ' 44' ' ' ILE . 84.3 mt -71.03 -8.63 54.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.898 0.38 . . . . 0.0 111.62 -177.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -17.28 64.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.152 176.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' B' ' 33' ' ' LEU . 3.7 pt20 -86.04 -28.16 24.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.436 178.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.43 -173.71 35.53 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.236 -0.507 . . . . 0.0 111.877 -178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 1.088 ' HG2' ' HB3' ' B' ' 80' ' ' ARG . 40.1 mt-10 -79.84 131.07 35.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.622 0.248 . . . . 0.0 110.708 -178.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -135.16 158.3 44.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.553 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.455 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.72 150.36 25.88 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.276 -176.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 47.4 t -51.54 -44.99 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.482 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -44.21 85.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.395 -178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.26 -40.73 70.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.985 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.455 HG13 ' O ' ' B' ' 40' ' ' ALA . 79.0 mt -59.63 -47.31 91.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.543 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.43 -49.4 77.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.716 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 55.9 m -59.36 -48.46 81.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.597 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.24 82.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -176.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 22.3 p -88.45 -14.3 38.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.842 0.353 . . . . 0.0 111.507 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.08 25.66 51.39 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.297 -178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 67.4 mtm -105.56 170.79 7.68 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.34 163.66 13.79 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.422 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.07 -38.94 84.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.641 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 17.0 p -62.37 -42.04 99.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 176.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -63.66 -49.58 72.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.656 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.43 -48.41 79.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.441 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 23.2 p -61.68 -31.27 71.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.81 -56.04 6.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.579 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.47 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 26.7 p30 -73.3 -30.78 63.62 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.828 -174.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.427 HD21 HG21 ' B' ' 30' ' ' ILE . 57.3 mt -64.09 -41.65 97.23 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 173.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -59.45 -43.5 93.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.464 176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.97 82.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.211 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' B' ' 58' ' ' ASN . 79.4 mt -65.06 -33.67 76.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.88 0.371 . . . . 0.0 110.258 176.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -71.51 -32.59 68.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 0.0 109.921 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 44.7 t -64.93 -38.27 90.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 175.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.576 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -76.74 -14.23 82.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.431 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.58 26.24 43.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.379 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' B' ' 67' ' ' LEU . 4.1 mm? -88.49 -40.05 13.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -127.32 154.73 37.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.122 0.487 . . . . 0.0 111.833 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -116.63 164.35 14.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.789 174.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -134.04 137.24 44.55 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -171.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -98.14 153.81 18.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 169.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.414 ' HG3' ' HG2' ' B' ' 77' ' ' GLN . 43.2 ttp180 -138.96 103.83 4.89 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.112 -0.635 . . . . 0.0 109.999 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -124.15 111.19 15.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.662 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.16 -114.25 4.11 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 6.8 m -112.54 -6.89 13.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.418 0.628 . . . . 0.0 109.483 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.442 ' HD2' ' CE1' ' B' ' 78' ' ' TYR . 13.4 ttm180 -94.46 140.17 30.17 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.097 -174.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.414 ' HG2' ' HG3' ' B' ' 72' ' ' ARG . 23.5 mt-30 -117.84 135.23 54.22 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.162 176.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' B' ' 76' ' ' ARG . 58.5 m-85 -107.52 144.48 34.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.53 175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -123.22 145.81 48.34 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.206 0.527 . . . . 0.0 111.562 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 1.088 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 0.1 OUTLIER -144.45 174.72 10.68 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.835 174.588 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -67.82 133.79 31.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.99 -34.62 60.33 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.78 165.54 31.6 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.269 -0.967 . . . . 0.0 112.182 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 43.3 tt0 -68.62 -30.19 68.86 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.058 176.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 38.4 t -67.68 -32.96 59.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.4 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.96 -44.85 94.93 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.615 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 27.0 mmt180 -72.64 -27.21 61.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.134 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.627 HD11 HG12 ' A' ' 93' ' ' VAL . 5.7 tt -61.48 -53.47 56.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.023 178.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -62.52 -36.03 81.28 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.116 0.484 . . . . 0.0 110.591 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.424 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.28 -47.78 72.54 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 177.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.8 -45.31 94.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.343 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.68 -29.84 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.799 0.333 . . . . 0.0 110.642 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.22 -39.19 75.27 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 91' ' ' ALA . 76.3 t -60.58 -46.98 94.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.186 174.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 97.3 t -57.14 -45.53 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.363 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.08 93.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.374 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -58.04 -48.79 79.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.782 -177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.713 ' HG3' ' HD2' ' B' ' 100' ' ' HIS . 5.0 pt-20 -85.23 -18.01 35.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -175.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.713 ' HD2' ' HG3' ' B' ' 99' ' ' GLU . 10.5 m170 -92.36 -3.75 54.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.873 0.368 . . . . 0.0 111.004 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 54.0 tp -100.73 93.83 5.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.95 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -71.09 119.07 14.69 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -137.73 20.62 2.88 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.892 -172.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.431 ' O ' ' HD2' ' B' ' 106' ' ' HIS . 3.2 p80 -77.44 -4.64 46.43 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.106 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -76.37 80.57 3.11 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.516 0.675 . . . . 0.0 110.095 174.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . 0.431 ' HD2' ' O ' ' B' ' 104' ' ' HIS . 7.1 p80 -95.04 -22.33 17.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.805 -176.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 31.0 m170 69.25 -63.05 0.39 Allowed 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.212 0.605 . . . . 0.0 111.043 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 . . . . . 0 C--O 1.245 0.864 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 172.549 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.9 ttm . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.817 0.341 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 6' ' ' ASP . . . -144.01 129.09 18.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.07 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.65 112.76 0.54 Allowed Glycine 0 N--CA 1.446 -0.667 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 72.17 -51.8 0.7 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.345 0.658 . . . . 0.0 110.335 -175.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t -104.51 95.51 5.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 170.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.577 ' HA ' ' HB1' ' A' ' 2' ' ' ALA . 5.2 m-20 -83.0 84.67 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.281 -178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.418 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 62.2 mtp180 -68.22 -36.33 79.35 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.346 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -62.78 -41.74 99.38 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 176.154 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.55 -33.85 76.88 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.913 0.387 . . . . 0.0 110.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 14' ' ' GLN . . . -66.33 -34.27 77.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.276 175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 96.2 mt -72.76 -37.55 67.63 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 8' ' ' LYS . 95.3 mt -60.8 -40.97 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.258 175.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.37 -32.43 73.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 178.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 10' ' ' ALA . 82.5 mm-40 -68.9 -39.91 79.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.266 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.17 -42.38 86.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.798 173.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 20' ' ' LYS . . . -59.4 -40.15 85.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.085 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -58.94 -43.57 91.24 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 110.699 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.3 t -67.98 -42.26 85.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.151 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.37 -41.07 99.77 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.573 178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 16' ' ' ALA . 98.7 mttt -61.4 -42.76 99.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.5 0.191 . . . . 0.0 110.887 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.7 -30.2 68.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.18 0.514 . . . . 0.0 110.913 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.0 tp -77.97 -14.89 59.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.548 0.69 . . . . 0.0 109.892 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.46 21.37 11.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.252 178.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.618 ' HB3' ' HB2' ' A' ' 27' ' ' ARG . 0.8 OUTLIER -80.06 -1.16 38.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.974 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.07 -95.74 0.12 Allowed Glycine 0 C--O 1.229 -0.203 0 CA-C-N 116.005 -0.543 . . . . 0.0 113.879 173.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 26' ' ' ARG . 19.2 mtp180 -65.25 -28.81 69.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 0.0 111.367 -175.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.618 ' HB2' ' HB3' ' A' ' 24' ' ' ASN . 89.2 mtt180 -71.29 -14.62 62.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.034 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' HB3' HD22 ' B' ' 12' ' ' LEU . 83.4 mt -70.07 -20.28 63.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.806 0.336 . . . . 0.0 110.098 177.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.77 -35.46 79.89 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.275 0.56 . . . . 0.0 109.628 177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.529 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 59.4 mt -67.56 -40.81 84.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.736 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.5 mt -64.07 -37.44 87.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -61.34 -38.96 88.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.978 0.418 . . . . 0.0 110.113 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 tp -74.3 -38.21 63.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.726 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 77.6 mt -72.64 -18.41 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.207 -179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.13 -19.34 61.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.115 0.483 . . . . 0.0 110.066 175.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 36' ' ' GLN . 0.9 OUTLIER -80.13 -40.02 28.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.491 175.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.67 178.59 39.85 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.612 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.506 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -83.89 146.69 27.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.822 0.344 . . . . 0.0 110.642 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -146.03 164.55 31.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.002 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.46 151.56 32.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.225 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.7 t -50.45 -41.84 20.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.558 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 52' ' ' LEU . 34.9 tt0 -59.44 -45.75 90.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.098 -178.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.78 -41.27 83.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.735 -179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.45 -47.26 92.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.46 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.9 -50.8 72.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 27.7 m -59.39 -47.1 86.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.268 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.99 -30.11 70.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.948 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -92.86 -11.02 34.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.735 0.303 . . . . 0.0 111.664 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.82 35.41 19.1 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.653 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 76.3 mtm -126.9 162.19 26.51 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -77.83 158.04 29.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD11 ' HG3' ' A' ' 42' ' ' GLU . 10.9 mp -58.83 -44.69 90.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.912 0.386 . . . . 0.0 111.099 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -61.95 -44.76 96.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.076 0.465 . . . . 0.0 110.901 177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.2 m -60.88 -47.33 86.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.037 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.76 -43.88 94.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.685 178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.6 m -59.87 -37.5 79.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.936 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.4 -44.1 72.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.351 . . . . 0.0 110.628 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -64.37 -40.08 95.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.551 178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 30' ' ' ILE . 88.9 mt -67.25 -36.64 82.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.141 178.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -60.07 -40.19 88.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.708 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.44 -48.84 76.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.572 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 27' ' ' ARG . 95.7 mt -63.52 -36.82 85.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 179.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -69.22 -36.33 77.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.405 -178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.2 m -74.88 -19.18 60.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.697 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.18 -16.91 73.15 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.766 -0.731 . . . . 0.0 111.842 174.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.99 13.33 56.58 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.401 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -85.95 -41.37 14.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.657 0.265 . . . . 0.0 111.485 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.6 m -122.28 162.22 22.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.076 0.465 . . . . 0.0 111.738 -176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.876 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -133.28 155.58 49.14 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.01 177.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.34 126.26 44.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.854 0.359 . . . . 0.0 110.976 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.468 ' NH2' ' HG3' ' A' ' 38' ' ' GLU . 15.5 mtm180 -98.11 126.12 43.42 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 176.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -82.75 95.17 7.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.85 108.67 19.54 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.712 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.58 -125.14 28.18 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.373 -174.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.0 m -105.64 11.17 32.55 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.624 0.726 . . . . 0.0 109.724 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -111.91 148.2 34.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.106 -176.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -102.3 116.04 31.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.472 174.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -102.68 116.76 33.23 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.022 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -100.74 149.51 23.73 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.14 -177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.548 ' HG2' ' H ' ' A' ' 81' ' ' ILE . 35.5 ttp180 -158.63 172.0 19.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.548 ' H ' ' HG2' ' A' ' 80' ' ' ARG . 54.5 mt -57.53 137.19 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 171.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.876 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -47.04 -49.81 20.65 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.602 0.564 . . . . 0.0 112.162 -173.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -153.57 169.56 32.29 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.699 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 40.3 tt0 -64.61 -31.23 72.35 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 117.121 0.46 . . . . 0.0 110.009 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.89 -45.86 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.216 0.532 . . . . 0.0 109.693 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.9 t -68.93 -34.1 62.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.146 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.77 81.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.055 178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.699 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 9.9 mmm-85 -69.58 -33.76 73.18 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 177.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.94 -47.03 79.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.082 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -64.86 -33.88 77.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.373 . . . . 0.0 110.443 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.32 -41.18 85.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.889 0.376 . . . . 0.0 110.183 175.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.22 -51.6 69.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.474 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.508 HG12 HD11 ' B' ' 89' ' ' LEU . 33.1 m -64.56 -30.53 50.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.849 0.357 . . . . 0.0 111.339 -178.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -72.69 -43.19 63.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.093 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 91' ' ' ALA . 73.2 t -63.83 -46.79 93.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.504 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.4 -36.27 76.72 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 120.65 0.262 . . . . 0.0 110.821 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.85 70.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.115 0.483 . . . . 0.0 110.409 176.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.8 -50.25 68.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.106 -0.952 . . . . 0.0 112.272 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -61.28 -33.84 74.21 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -170.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -98.29 -3.72 36.64 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.856 -0.738 . . . . 0.0 111.293 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.3 tp -85.95 -35.68 20.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -79.69 170.65 16.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.784 174.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.4 t60 -137.55 17.26 2.91 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.202 0.525 . . . . 0.0 109.917 -177.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -92.11 -47.28 7.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.504 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -75.27 96.2 3.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.949 0.404 . . . . 0.0 110.281 176.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -120.51 -3.59 9.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.409 0.623 . . . . 0.0 109.724 177.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.2 m80 -94.41 166.58 12.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.802 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.041 -179.139 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ttt . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.54 -164.16 1.41 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.23 -177.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.75 -92.17 1.78 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.013 176.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -100.76 129.95 46.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p 68.9 -37.64 0.37 Allowed 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.043 1.337 . . . . 0.0 113.174 177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 61.57 89.33 0.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.577 0.703 . . . . 0.0 109.664 -173.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 -66.02 -19.22 65.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.791 . . . . 0.0 112.701 -168.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -36.64 84.61 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.471 175.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -28.43 64.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.009 178.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.53 69.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.388 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.485 ' O ' HG23 ' B' ' 15' ' ' VAL . 92.1 mt -67.67 -43.56 79.92 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 28' ' ' LEU . 70.5 mt -65.02 -33.97 77.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.349 178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.64 -40.0 94.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.973 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.485 HG23 ' O ' ' B' ' 11' ' ' LEU . 93.6 t -63.64 -38.91 83.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.995 175.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.54 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.831 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.517 HH21 ' HA3' ' B' ' 66' ' ' GLY . 16.3 ttp180 -58.26 -47.94 81.98 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.312 0.577 . . . . 0.0 109.459 178.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.637 HG13 HD21 ' B' ' 67' ' ' LEU . 62.7 t -63.41 -47.49 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.473 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.99 -40.22 93.02 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.744 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -70.17 -26.17 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.595 0.235 . . . . 0.0 111.068 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.58 -30.99 66.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.345 173.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.536 HD22 HD11 ' B' ' 67' ' ' LEU . 3.9 mm? -82.43 -17.51 45.1 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.209 176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.65 48.46 0.93 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 0.0 111.66 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -135.86 -175.34 3.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.908 -178.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.41 -55.17 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.005 177.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.37 -26.6 66.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.164 0.507 . . . . 0.0 110.648 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.42 ' HB3' HD21 ' B' ' 62' ' ' LEU . 99.3 mtt180 -83.4 -18.47 38.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.295 -176.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 32.1 mt -79.34 -29.19 42.15 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.3 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -67.87 -28.21 67.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.429 0.633 . . . . 0.0 109.654 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.504 HG12 HG21 ' B' ' 48' ' ' THR . 66.0 mt -66.79 -40.08 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.544 175.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.98 -41.46 82.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.397 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -26.46 64.09 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 120.485 -0.486 . . . . 0.0 109.839 179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.53 -36.07 68.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.542 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.402 HD23 ' HG3' ' B' ' 39' ' ' ARG . 96.1 mt -84.03 -10.55 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.59 -29.13 70.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 0.0 110.936 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -91.9 15.51 12.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 129.13 159.18 9.82 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.803 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.45 ' HB3' ' CB ' ' B' ' 80' ' ' ARG . 8.7 pt-20 -74.13 136.34 42.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.77 -0.215 . . . . 0.0 110.671 178.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.402 ' HG3' HD23 ' B' ' 34' ' ' LEU . 18.0 mtp180 -134.64 162.23 32.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.678 0.275 . . . . 0.0 110.354 -174.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.465 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -78.36 159.34 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.518 178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 77' ' ' GLN . 59.6 t -54.31 -43.41 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.288 -178.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.483 ' HA ' HD21 ' B' ' 52' ' ' LEU . 2.3 mp0 -58.72 -43.8 90.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.864 0.364 . . . . 0.0 111.026 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.62 -39.46 80.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.56 -51.65 60.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.614 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.48 72.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.32 -178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 30.1 m -58.0 -50.77 72.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.961 -178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.51 -30.26 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -174.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.504 HG21 HG12 ' B' ' 30' ' ' ILE . 20.3 p -87.86 -18.71 28.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.584 0.23 . . . . 0.0 111.431 -178.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.9 21.29 47.11 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.538 -0.839 . . . . 0.0 113.164 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -119.13 158.54 25.71 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -78.77 158.26 28.28 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' B' ' 42' ' ' GLU . 93.9 mt -50.04 -46.71 53.27 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.522 0.514 . . . . 0.0 111.934 -175.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.4 m -60.27 -49.3 78.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.673 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 33.3 m -70.31 -37.22 74.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.882 0.373 . . . . 0.0 110.983 -178.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.46 -49.27 74.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.047 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.533 ' HA ' HD12 ' B' ' 59' ' ' LEU . 15.9 p -65.57 -32.99 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.349 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.48 -44.05 97.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.197 0.522 . . . . 0.0 110.747 176.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -74.84 -30.47 61.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.739 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' B' ' 56' ' ' SER . 56.6 mt -63.47 -41.52 98.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.231 173.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -61.16 -36.84 80.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.618 176.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.22 -42.91 93.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.978 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' B' ' 27' ' ' ARG . 96.0 mt -67.79 -29.72 68.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 0.0 110.281 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -68.84 -42.81 76.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.725 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 7.4 p -71.52 -20.62 62.02 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.401 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.3 -28.93 62.98 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 171.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . 0.517 ' HA3' HH21 ' B' ' 17' ' ' ARG . . . 99.82 24.27 10.06 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.451 178.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.637 HD21 HG13 ' B' ' 18' ' ' VAL . 8.4 mt -98.78 -43.82 6.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.919 0.39 . . . . 0.0 111.132 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 33.2 m -116.39 161.42 15.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.236 0.541 . . . . 0.0 111.513 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -130.96 164.08 26.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.772 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -118.84 136.88 53.78 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.999 0.428 . . . . 0.0 111.25 -175.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -132.05 113.03 12.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.141 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -78.95 128.8 33.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.059 0.457 . . . . 0.0 110.422 174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -134.25 107.85 7.9 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 68.69 -121.62 12.76 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.52 -0.847 . . . . 0.0 111.124 -171.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 3.0 m -102.77 -4.1 25.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 109.938 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -94.11 151.19 19.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.442 -178.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.478 ' O ' HG23 ' B' ' 41' ' ' VAL . 9.8 tt0 -116.59 116.49 27.68 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.465 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 83.7 m-85 -98.52 133.05 43.42 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.278 -178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.42 ' CD1' HD13 ' B' ' 59' ' ' LEU . 42.1 m-85 -106.62 131.87 53.27 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.029 0.443 . . . . 0.0 110.057 176.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.45 ' CB ' ' HB3' ' B' ' 38' ' ' GLU . 4.3 ptm180 -133.04 166.49 22.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.481 -0.781 . . . . 0.0 109.77 -177.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.418 ' CG2' ' HB ' ' B' ' 86' ' ' VAL . 55.6 mt -74.77 135.64 26.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.96 -37.45 66.49 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -174.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -166.45 173.62 41.89 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.468 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -60.99 -28.72 69.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.258 0.551 . . . . 0.0 110.438 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.45 -48.89 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.678 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' B' ' 81' ' ' ILE . 52.2 t -67.71 -38.51 80.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.523 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.12 66.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.838 179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -65.2 -33.47 76.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 178.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.508 HD11 HG12 ' A' ' 93' ' ' VAL . 5.8 tt -60.27 -53.39 58.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.047 179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -65.24 -38.23 89.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.492 -179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.458 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -63.62 -46.38 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.971 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.408 ' O ' HG23 ' B' ' 96' ' ' VAL . 47.4 tp -63.26 -50.68 69.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.61 -31.45 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 120.763 0.316 . . . . 0.0 110.873 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -62.4 -44.13 97.18 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.922 0.392 . . . . 0.0 109.955 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.458 HG23 ' O ' ' B' ' 91' ' ' ALA . 97.9 t -63.81 -42.79 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.442 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 92' ' ' LEU . 91.1 t -55.32 -48.42 76.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.694 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.33 -48.98 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.075 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.1 -50.36 74.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.04 -176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.435 ' OE2' ' HA ' ' B' ' 103' ' ' HIS . 23.5 tp10 -72.2 -13.36 61.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.945 0.402 . . . . 0.0 111.167 -176.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -86.99 -19.41 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.221 -0.3 . . . . 0.0 111.057 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.497 HD21 ' HG3' ' A' ' 14' ' ' GLN . 3.8 mm? -80.98 -30.86 34.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.83 0.348 . . . . 0.0 110.576 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.63 122.43 1.69 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 177.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . 0.435 ' HA ' ' OE2' ' B' ' 99' ' ' GLU . 73.5 m-70 -80.14 72.12 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.975 0.417 . . . . 0.0 109.971 177.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -75.48 45.07 0.29 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.361 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -165.73 -35.85 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.418 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 34.5 m80 68.14 -72.9 0.09 Allowed 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.88 0.737 . . . . 0.0 109.541 -173.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 12.3 p80 178.44 -44.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.254 174.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.246 0.917 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.571 175.178 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 121.085 0.469 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.3 107.11 3.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.256 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.6 73.96 2.18 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.225 176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -55.41 134.15 50.23 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.757 0.328 . . . . 0.0 110.595 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p 58.65 174.54 0.07 Allowed 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.478 1.111 . . . . 0.0 111.922 -175.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.421 ' OD2' ' HB2' ' A' ' 9' ' ' ALA . 14.1 p-10 -97.38 115.66 28.13 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.423 0.63 . . . . 0.0 109.767 177.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -81.87 -29.28 32.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.507 -164.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.51 -23.22 61.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.163 -177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' HB2' ' OD2' ' A' ' 6' ' ' ASP . . . -59.21 -33.29 70.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.257 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.03 83.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.625 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.3 tp -76.52 -36.08 57.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.045 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.5 mt -66.44 -40.92 89.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.715 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.69 -36.41 83.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.698 0.285 . . . . 0.0 110.428 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -58.13 -54.83 42.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.681 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.5 m -70.4 -29.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.718 0.294 . . . . 0.0 111.233 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.63 -33.3 70.86 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.38 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -62.47 -42.03 99.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.479 177.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.21 -51.8 68.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.273 175.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.73 -25.88 71.88 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.773 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.35 -34.25 67.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.806 0.336 . . . . 0.0 110.682 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.31 -25.9 33.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.18 0.514 . . . . 0.0 109.9 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.76 -35.61 72.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.642 177.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB1' ' HG2' ' B' ' 20' ' ' LYS . . . -80.14 20.66 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.034 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -83.98 -37.04 22.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.988 0.423 . . . . 0.0 110.921 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.07 -62.1 4.22 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.643 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.68 -43.95 95.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.95 0.405 . . . . 0.0 111.16 -177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HB3' HD21 ' A' ' 62' ' ' LEU . 42.4 mtm-85 -71.19 -10.04 59.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.832 -178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.738 0.304 . . . . 0.0 110.433 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -65.22 -28.93 69.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.043 0.449 . . . . 0.0 110.273 177.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 59.6 mt -72.61 -44.57 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.994 177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.78 -39.62 89.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.37 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -61.25 -36.98 81.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.954 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 58.9 tp -74.74 -41.52 59.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.5 mt -81.37 -4.85 56.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.312 -177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.66 -15.01 63.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.246 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.7 pt20 -99.3 -7.27 26.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.316 -179.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 151.55 -133.51 4.23 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.133 -1.032 . . . . 0.0 113.055 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 80' ' ' ARG . 9.1 pt-20 -123.52 137.05 54.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.064 0.459 . . . . 0.0 111.005 -175.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 39' ' ' ARG . 11.8 mmt180 -137.68 147.57 44.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.346 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -70.03 152.24 44.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.467 177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 51.1 t -53.7 -42.49 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 0.0 110.621 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 1.8 mp0 -59.3 -39.25 82.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.642 179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.41 -42.11 59.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.581 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 40' ' ' ALA . 80.9 mt -60.38 -44.28 95.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.602 178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.24 -57.09 14.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.006 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.1 m -62.72 -39.32 93.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.6 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.67 -31.74 73.1 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.9 p -95.76 -9.89 30.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.907 0.384 . . . . 0.0 111.361 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.48 30.52 36.44 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.332 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.412 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 75.6 mtm -115.78 169.79 8.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 177.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -94.79 166.61 11.9 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 96.0 mt -53.99 -42.33 68.88 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.311 0.382 . . . . 0.0 110.876 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.5 p -57.06 -54.99 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.549 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.412 ' HB ' ' HB3' ' A' ' 50' ' ' MET . 3.1 m -63.29 -42.54 99.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.223 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.06 -50.64 65.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.242 -178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.0 t -61.32 -38.31 86.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.234 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -41.83 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.211 0.529 . . . . 0.0 110.599 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.36 -35.25 71.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.152 178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.25 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.9 0.381 . . . . 0.0 110.888 177.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -64.82 -40.81 95.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.052 0.453 . . . . 0.0 109.982 176.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.08 -41.67 85.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.546 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.647 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 98.7 mt -73.65 -7.59 52.6 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.233 177.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.44 ' HE3' ' HB2' ' A' ' 63' ' ' LYS . 33.3 ttmt -78.11 -69.67 0.54 Allowed 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.3 m -47.92 -43.15 28.76 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.159 -0.928 . . . . 0.0 113.032 -175.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -137.92 20.82 3.21 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.908 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.647 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -115.28 -19.06 5.98 Favored Glycine 0 CA--C 1.51 -0.229 0 C-N-CA 119.861 -1.161 . . . . 0.0 111.814 -176.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 67' ' ' LEU . 6.2 mt 76.33 40.69 0.23 Allowed 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.878 -0.661 . . . . 0.0 111.711 169.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 62' ' ' LEU . 27.2 m -120.5 148.25 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.539 173.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -107.77 176.89 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.782 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 78' ' ' TYR . . . -139.83 142.36 36.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -127.18 133.89 50.23 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.177 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -87.78 103.78 15.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.481 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.18 89.77 3.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.826 -177.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 54.8 -96.85 0.03 OUTLIER Glycine 0 C--N 1.33 0.205 0 CA-C-N 115.727 -0.67 . . . . 0.0 113.937 175.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 45.4 p -91.64 -21.41 20.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.873 0.368 . . . . 0.0 111.451 -175.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -113.89 167.61 10.5 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.184 0.516 . . . . 0.0 111.478 -171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 40' ' ' ALA . 35.5 tt0 -124.68 114.42 19.3 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 30.6 m-85 -96.53 133.39 41.05 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.335 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -111.38 149.92 30.51 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 38' ' ' GLU . 18.8 ptt180 -161.48 166.39 27.25 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -177.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 50.7 mm -61.3 134.64 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.38 -65.07 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.553 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -124.35 164.29 17.78 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.415 -177.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -69.71 -26.48 64.36 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -63.82 -35.75 81.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.09 174.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 67' ' ' LEU . 60.4 t -65.49 -44.44 94.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.113 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.53 94.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.429 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.5 mtm105 -66.12 -30.24 70.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.468 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.8 tt -63.45 -50.38 69.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -68.99 -31.61 70.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.328 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -72.22 -33.6 67.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 177.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.88 -46.73 67.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.402 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.2 m -64.34 -29.02 46.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.111 0.482 . . . . 0.0 110.286 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.631 ' HA ' HD11 ' B' ' 11' ' ' LEU . 29.3 tt0 -65.17 -41.39 94.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.051 173.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 91' ' ' ALA . 95.5 t -60.79 -44.52 97.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-O 120.83 0.348 . . . . 0.0 110.323 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.416 ' HA ' ' HD2' ' A' ' 100' ' ' HIS . 57.8 t -57.5 -49.92 78.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.435 177.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.486 ' HB3' HD12 ' B' ' 11' ' ' LEU . . . -66.61 -48.44 69.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.134 -176.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -55.5 14.85 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.001 0.429 . . . . 0.0 112.098 -177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -80.3 -47.72 14.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -169.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.416 ' HD2' ' HA ' ' A' ' 96' ' ' VAL . 85.9 m-70 -81.03 -2.55 48.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.868 0.366 . . . . 0.0 111.919 -169.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.583 ' O ' ' HB2' ' A' ' 102' ' ' GLU . 43.3 tp -89.86 -1.8 58.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.677 172.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 1.5 mp0 81.5 116.97 0.06 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.834 -175.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -123.92 -81.41 0.64 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.377 -0.829 . . . . 0.0 108.895 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -155.03 135.03 12.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 173.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.65 -46.05 2.58 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 111.448 0.166 . . . . 0.0 111.448 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 32.7 m80 58.39 75.64 0.38 Allowed 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.502 0.501 . . . . 0.0 109.778 -173.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 106' ' ' HIS . 35.7 m80 72.57 177.13 0.26 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.868 -1.06 . . . . 0.0 110.35 -173.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.771 -0.633 . . . . 0.0 109.884 -175.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.2 mtp . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.86 -56.99 4.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.84 0.352 . . . . 0.0 111.092 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.28 -110.19 3.06 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.709 -0.758 . . . . 0.0 111.673 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -110.3 119.06 38.01 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.909 0.385 . . . . 0.0 110.616 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -151.19 -84.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 48.46 53.55 11.86 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.527 0.517 . . . . 0.0 111.477 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 48.3 mtm180 -62.7 -20.51 64.95 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -172.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' B' ' 11' ' ' LEU . 23.7 ttmm -69.51 -28.27 65.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.885 177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.66 92.05 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.639 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.05 -31.51 72.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.725 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' A' ' 94' ' ' GLN . 22.9 tp -64.03 -53.26 52.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.847 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.39 -35.45 79.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.267 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.61 -45.6 71.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.232 177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -69.92 -39.5 76.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.318 -176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -68.21 -30.48 48.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.531 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' B' ' 20' ' ' LYS . . . -66.43 -40.32 89.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.185 174.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 54.3 ttt180 -57.71 -47.0 83.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.732 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.534 HG13 HD21 ' B' ' 67' ' ' LEU . 58.3 t -60.93 -45.02 99.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.568 177.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -45.79 95.18 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.603 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.531 ' HG2' ' HB1' ' A' ' 23' ' ' ALA . 59.9 mtpt -64.4 -25.58 68.08 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.544 0.211 . . . . 0.0 111.406 -178.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.5 -39.57 62.34 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.705 0.288 . . . . 0.0 110.855 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tt -80.4 -36.23 34.12 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.185 -176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.82 97.53 0.35 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.045 0.45 . . . . 0.0 110.821 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -166.27 -43.96 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.338 -178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.52 -59.12 0.94 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.427 178.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 78.0 mtt85 -68.64 -25.83 65.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 111.422 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -74.86 -16.71 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.947 0.403 . . . . 0.0 110.92 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.34 -22.81 60.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.308 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -62.79 -33.29 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.168 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.486 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 58.9 mt -70.55 -42.74 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.141 178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -64.03 -39.21 93.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.579 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -61.83 -32.86 73.21 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.608 176.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.407 ' HA ' HE21 ' B' ' 36' ' ' GLN . 59.4 tp -77.72 -46.66 21.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.007 177.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 51.7 mt -69.46 -15.73 63.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.822 0.344 . . . . 0.0 111.711 -175.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.06 -20.59 63.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.162 0.506 . . . . 0.0 110.134 174.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' B' ' 33' ' ' LEU . 43.6 mt-30 -91.43 -7.41 50.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.929 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.43 -178.01 22.64 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.354 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.516 ' H ' ' CD ' ' B' ' 38' ' ' GLU . 0.5 OUTLIER -87.31 122.92 31.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.213 0.53 . . . . 0.0 110.167 179.054 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.486 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -119.66 141.48 49.31 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.185 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.547 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -69.19 159.23 33.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.143 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.45 -40.94 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.015 0.436 . . . . 0.0 110.916 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.515 ' HG3' HD21 ' B' ' 52' ' ' LEU . 2.2 mp0 -59.38 -44.71 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -42.08 72.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.968 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -58.72 -43.77 88.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.26 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.4 -45.25 84.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.061 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 26.3 m -63.11 -47.99 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.363 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.21 -26.51 64.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.096 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.488 ' HB ' ' SD ' ' B' ' 50' ' ' MET . 26.1 p -93.96 -10.6 33.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.685 0.279 . . . . 0.0 111.465 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.23 34.7 60.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.079 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.488 ' SD ' ' HB ' ' B' ' 48' ' ' THR . 2.0 mtp -130.15 175.15 9.14 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -178.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -83.5 162.51 20.9 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.515 HD21 ' HG3' ' B' ' 42' ' ' GLU . 9.6 mp -59.13 -46.14 89.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 179.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.9 t -60.51 -43.63 96.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.599 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 3.8 m -61.75 -43.33 99.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.153 0.501 . . . . 0.0 110.476 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.76 -50.37 69.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.825 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.414 ' HA ' ' HB2' ' B' ' 59' ' ' LEU . 65.6 p -65.14 -27.89 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.529 -177.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.82 -47.03 79.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.227 0.537 . . . . 0.0 110.265 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.09 -37.78 81.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.19 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.414 ' HB2' ' HA ' ' B' ' 56' ' ' SER . 86.8 mt -62.85 -39.59 94.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.618 177.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -62.09 -42.15 98.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.338 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.62 -47.03 85.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 178.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 99.6 mt -65.75 -34.74 78.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.854 179.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -69.26 -38.65 78.52 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 32.4 m -65.71 -37.44 86.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.311 176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -69.76 -23.21 76.93 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.404 174.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.81 26.19 17.79 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 121.17 -0.538 . . . . 0.0 112.725 177.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.534 HD21 HG13 ' B' ' 18' ' ' VAL . 21.4 mt -99.1 -26.32 14.25 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -176.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -128.95 145.9 35.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.538 -177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.52 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 68.0 mm-40 -112.07 151.17 29.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.972 176.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' B' ' 79' ' ' TYR . . . -117.92 109.8 16.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.406 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 88.8 mtt-85 -116.99 130.35 56.63 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.229 0.538 . . . . 0.0 109.926 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.405 ' HD3' HH11 ' B' ' 72' ' ' ARG . 28.6 ttt180 -100.51 140.11 35.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.009 -169.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.52 128.71 37.91 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 175.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 63.79 -99.41 0.3 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.979 -0.629 . . . . 0.0 111.63 -175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t -131.35 4.85 4.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.634 0.254 . . . . 0.0 110.872 178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 60.8 mtt-85 -106.94 141.4 38.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.957 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -99.13 111.3 23.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.874 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 94.4 m-85 -96.19 131.05 43.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.614 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.425 ' CE2' ' HB2' ' B' ' 70' ' ' ALA . 26.1 m-85 -104.88 146.06 29.53 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.965 0.412 . . . . 0.0 110.543 177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.48 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 2.9 tmm_? -155.97 162.17 40.39 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 177.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.48 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 64.6 mt -53.39 131.93 15.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 123.171 0.294 . . . . 0.0 110.267 176.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.52 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -55.32 -51.89 65.25 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -174.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.78 -178.68 25.86 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 119.923 -1.132 . . . . 0.0 112.994 -176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.36 -32.62 73.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.385 0.612 . . . . 0.0 110.112 -178.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -69.11 -41.27 77.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.802 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.526 HG13 HD22 ' B' ' 67' ' ' LEU . 59.5 t -67.88 -40.02 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.044 0.449 . . . . 0.0 110.467 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.88 -43.21 94.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.828 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.54 ' HA ' ' HB3' ' B' ' 91' ' ' ALA . 62.4 mtt180 -86.64 -8.64 57.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 7.6 tt -68.89 -50.85 46.12 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 172.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -66.23 -33.89 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.951 176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' B' ' 88' ' ' ARG . . . -66.63 -46.85 74.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.042 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 50.4 tp -64.5 -45.39 87.51 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.303 -176.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.432 ' HA ' HG12 ' B' ' 96' ' ' VAL . 11.4 p -63.78 -29.71 48.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 121.14 0.495 . . . . 0.0 109.986 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.86 -45.36 78.39 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.131 174.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 87.4 t -63.71 -46.29 95.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.529 -178.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' B' ' 93' ' ' VAL . 13.4 p -65.29 -31.47 54.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.61 -178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.93 -43.32 58.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.958 0.409 . . . . 0.0 109.898 174.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -57.13 -50.04 74.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.095 -0.957 . . . . 0.0 111.441 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.59 -51.19 63.78 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.345 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -84.28 -3.31 58.14 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.191 -174.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 23.9 tp -92.57 75.62 5.08 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 18.46 57.99 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.501 1.52 . . . . 0.0 113.953 -173.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -108.93 20.28 18.62 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.367 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -60.64 100.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -66.31 -71.18 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.71 -171.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -161.34 -65.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.041 -177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 70.34 -61.52 0.46 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.359 0.664 . . . . 0.0 111.725 -177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 18.3 p80 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.101 179.735 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HG3' ' H ' ' A' ' 2' ' ' ALA . 9.9 tpt . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.458 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . 62.22 26.93 16.17 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.638 0.732 . . . . 0.0 109.987 -174.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.68 -169.47 39.42 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.207 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -142.44 143.25 32.54 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.486 0.643 . . . . 0.0 110.825 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m 62.89 96.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.817 0.698 . . . . 0.0 111.396 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.59 22.86 0.68 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.089 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 6.1 ptt180 -73.15 -11.49 60.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -57.32 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.05 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.75 -29.82 70.81 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.599 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -36.81 85.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.695 177.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 91.5 mt -74.68 -38.68 62.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.955 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.4 mt -61.45 -41.74 97.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.056 177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.18 -42.86 91.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.012 175.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.89 -44.92 88.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.38 -44.78 94.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.8 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.88 -37.33 79.04 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.913 179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 26.6 ttm105 -58.16 -45.84 86.73 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.579 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.85 -50.35 80.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 177.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.56 84.6 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 121.035 -0.603 . . . . 0.0 112.4 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.57 -38.08 86.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.908 0.385 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.11 -20.67 37.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.3 -3.85 57.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.581 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' C ' HD22 ' A' ' 24' ' ' ASN . . . -83.49 21.29 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.585 -178.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.527 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 0.9 OUTLIER -117.74 145.96 44.1 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -178.39 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.86 -60.27 1.09 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.68 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 26' ' ' ARG . 17.4 mtp180 -70.5 -19.53 62.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.812 0.339 . . . . 0.0 111.875 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.0 ttp85 -74.1 -22.4 59.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.877 0.37 . . . . 0.0 110.594 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 88.2 mt -69.85 -21.77 63.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.96 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.537 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 51.6 mt-30 -58.64 -35.74 72.99 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.928 0.394 . . . . 0.0 110.402 177.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 58.6 mt -70.82 -42.6 77.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.623 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.5 mt -60.04 -38.59 83.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.619 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -63.69 -47.62 80.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.365 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.603 ' HB3' ' HD2' ' A' ' 39' ' ' ARG . 79.9 mt -60.39 -38.9 85.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.848 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 56.9 mt -77.17 -19.86 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.245 -177.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -81.49 -27.37 34.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.351 0.596 . . . . 0.0 109.715 174.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -76.23 -40.03 53.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.573 175.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -175.18 164.9 35.65 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.244 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 1.3 pm0 -77.69 109.13 11.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.267 0.556 . . . . 0.0 110.094 178.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.603 ' HD2' ' HB3' ' A' ' 33' ' ' LEU . 88.5 mtt180 -111.13 144.19 40.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.322 -174.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.518 ' HA ' ' O ' ' A' ' 77' ' ' GLN . . . -72.33 152.58 42.01 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.245 176.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.5 t -49.66 -45.35 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 O-C-N 123.608 0.567 . . . . 0.0 111.366 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' HG2' HD11 ' A' ' 52' ' ' LEU . 42.1 mt-10 -63.58 -41.07 98.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.928 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.3 -39.25 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.801 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.3 -43.03 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.335 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.44 63.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.857 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.7 m -58.3 -48.53 80.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.23 -37.59 85.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.25 -174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.3 p -84.02 -17.6 39.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.705 0.288 . . . . 0.0 111.386 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.85 26.84 40.11 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.87 -177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.9 mtm -118.76 170.88 8.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -90.63 164.58 14.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.767 0.317 . . . . 0.0 111.032 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD11 ' HG2' ' A' ' 42' ' ' GLU . 4.4 mm? -57.17 -43.25 82.39 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.515 -178.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.1 t -57.36 -39.15 75.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.346 . . . . 0.0 111.079 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 m -73.94 -45.4 50.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.169 0.509 . . . . 0.0 110.529 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.455 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -63.19 -48.66 77.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.328 -178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' HG3' ' A' ' 60' ' ' GLN . 43.3 p -64.81 -38.69 91.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.374 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.81 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.141 0.496 . . . . 0.0 110.857 177.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -68.58 -33.43 74.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.804 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 86.3 mt -66.92 -37.65 84.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.144 177.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 56' ' ' SER . 25.9 mt-30 -64.78 -34.25 77.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.225 0.536 . . . . 0.0 110.102 176.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.18 -29.37 62.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.741 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.865 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 97.3 mt -86.03 -8.03 58.22 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 68' ' ' VAL . 24.8 tptp -78.04 -69.61 0.54 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 168.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.6 p -47.46 -49.9 24.39 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.157 -174.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.9 25.92 3.32 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.04 -1.076 . . . . 0.0 112.417 178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.865 ' HA3' ' HA ' ' A' ' 62' ' ' LEU . . . -111.47 -22.56 6.05 Favored Glycine 0 CA--C 1.51 -0.273 0 C-N-CA 119.719 -1.229 . . . . 0.0 112.054 -175.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.66 ' HB2' HG11 ' A' ' 86' ' ' VAL . 6.8 mt 78.32 36.0 0.23 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 114.985 -0.607 . . . . 0.0 111.683 168.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 81' ' ' ILE . 35.1 m -120.01 160.98 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.438 174.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -120.73 166.45 13.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.53 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.2 126.31 43.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.331 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.54 129.59 52.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 175.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.553 ' HG2' ' HG2' ' A' ' 77' ' ' GLN . 41.9 mtm180 -93.66 130.93 39.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.321 0.582 . . . . 0.0 112.233 -175.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.542 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 31.7 tt0 -112.77 97.81 6.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.814 173.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.88 -98.79 0.37 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.359 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 m -103.64 -18.27 14.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 111.227 -177.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.2 mtm-85 -100.59 152.23 20.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 112.015 -172.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.553 ' HG2' ' HG2' ' A' ' 72' ' ' ARG . 51.4 mt-30 -108.83 121.57 45.37 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.439 176.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 22.5 m-85 -104.67 126.44 51.76 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.445 ' O ' HD22 ' A' ' 34' ' ' LEU . 15.6 m-85 -100.96 146.19 27.71 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.662 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.11 153.49 34.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.225 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.554 HD13 HG12 ' A' ' 68' ' ' VAL . 31.7 mm -59.67 132.28 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.61 85.92 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -174.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -145.7 162.96 28.3 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.394 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -65.33 -29.51 70.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.352 0.596 . . . . 0.0 109.495 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' OD2' HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -54.2 -57.82 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.059 175.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.66 HG11 ' HB2' ' A' ' 67' ' ' LEU . 60.8 t -59.35 -43.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.902 0.382 . . . . 0.0 111.075 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.72 93.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.379 -178.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -77.26 -21.97 52.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD12 HD22 ' B' ' 92' ' ' LEU . 8.0 tt -64.07 -45.03 90.55 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 173.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 63.8 t80 -68.38 -37.46 80.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.374 178.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -64.96 -38.57 91.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.857 0.36 . . . . 0.0 110.705 176.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.64 -47.39 85.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.598 ' HA ' HG12 ' A' ' 96' ' ' VAL . 34.8 m -68.09 -29.2 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.198 -178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 90' ' ' PHE . 53.9 mt-30 -67.42 -40.93 85.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.934 0.397 . . . . 0.0 110.359 175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 91' ' ' ALA . 86.8 t -70.71 -46.77 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.181 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 93' ' ' VAL . 8.4 p -62.56 -29.7 47.49 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.868 -178.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.52 -46.03 50.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.901 0.381 . . . . 0.0 110.695 176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -63.66 -47.83 79.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.877 -175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.99 -17.28 60.56 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.479 -175.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.12 -22.49 28.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.482 0.182 . . . . 0.0 111.083 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.77 -20.61 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.191 0.52 . . . . 0.0 110.607 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.14 174.24 8.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -56.13 108.75 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.198 0.523 . . . . 0.0 110.093 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -94.5 -60.65 1.67 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.397 -170.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -120.97 129.86 53.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.866 0.365 . . . . 0.0 110.372 -176.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -69.53 -81.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.783 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -163.08 171.11 16.9 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.538 -0.744 . . . . 0.0 109.562 175.264 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.04 -173.76 4.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.262 -178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.1 -137.5 4.59 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.334 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -102.68 103.02 13.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.386 0.612 . . . . 0.0 111.475 -174.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.7 m -114.61 8.69 16.37 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 173.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.16 -24.85 65.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.916 -174.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -59.54 -58.68 7.54 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.771 0.319 . . . . 0.0 111.603 -177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -68.7 -31.63 70.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.66 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.85 -42.24 79.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.054 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.54 -34.35 76.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.202 0.525 . . . . 0.0 110.825 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.469 ' O ' HG23 ' B' ' 15' ' ' VAL . 93.5 mt -72.43 -40.83 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.985 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 96.9 mt -62.99 -33.81 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.65 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.99 -46.75 89.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.854 0.359 . . . . 0.0 110.479 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -64.65 -42.39 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.264 177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 11' ' ' LEU . 73.3 t -60.0 -48.18 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.248 178.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.67 -30.87 70.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.287 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -70.58 -38.76 74.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.973 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.746 HG13 HD11 ' B' ' 67' ' ' LEU . 95.9 t -63.42 -48.86 85.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.094 175.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.31 -34.7 90.68 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.295 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -66.29 -29.72 70.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.422 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -74.0 -32.68 63.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.043 0.449 . . . . 0.0 110.208 174.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 10.2 tp -88.13 20.33 3.24 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.864 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.19 16.32 18.5 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.515 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 32.1 p30 -151.86 169.8 21.39 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.166 176.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.6 -46.88 4.46 Favored Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 114.811 0.684 . . . . 0.0 114.811 -165.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -69.99 -22.61 63.11 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 117.759 0.779 . . . . 0.0 112.111 -171.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mtm180 -76.53 -19.63 57.74 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.117 -0.633 . . . . 0.0 109.916 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 76.6 mt -76.5 -31.59 57.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.621 175.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' B' ' 48' ' ' THR . 47.2 tt0 -59.97 -35.18 74.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.323 176.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 75.9 mt -65.09 -47.93 85.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.132 174.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 98.9 mt -61.23 -36.35 79.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.119 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.65 -43.12 97.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.572 177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.91 -33.6 74.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.097 0.475 . . . . 0.0 110.525 176.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.417 HD21 HD11 ' B' ' 44' ' ' ILE . 80.3 mt -79.45 -5.28 54.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.501 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.53 -4.7 28.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.342 0.591 . . . . 0.0 110.261 174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -88.53 -12.04 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.441 174.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.28 -109.15 1.22 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.276 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.616 ' HG2' ' HD2' ' B' ' 80' ' ' ARG . 20.5 mt-10 -118.17 113.37 21.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.775 0.322 . . . . 0.0 110.42 -175.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.45 ' HD3' ' HA ' ' B' ' 39' ' ' ARG . 54.5 mmt-85 -120.59 146.39 46.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.644 0.259 . . . . 0.0 110.723 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.529 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -71.31 149.09 46.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.689 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.56 -37.53 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.431 ' HA ' HD11 ' B' ' 52' ' ' LEU . 48.5 mt-10 -60.81 -40.76 93.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.998 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.35 -41.24 76.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.255 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.417 HD11 HD21 ' B' ' 34' ' ' LEU . 79.6 mt -58.72 -50.31 79.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.66 177.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.27 85.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.395 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -65.86 -47.26 75.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 -178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.62 -29.78 69.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.661 -176.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.464 ' HA ' ' NE2' ' B' ' 29' ' ' GLN . 23.3 p -92.4 -5.71 51.51 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.624 -177.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.98 35.58 79.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.55 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.535 ' HB3' ' HB ' ' B' ' 54' ' ' THR . 78.4 mtm -123.43 175.12 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.69 0.281 . . . . 0.0 110.277 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.32 169.02 11.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' B' ' 42' ' ' GLU . 4.4 mm? -62.02 -39.91 93.91 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 177.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 16.7 p -60.67 -49.75 76.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.636 176.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.535 ' HB ' ' HB3' ' B' ' 50' ' ' MET . 2.0 m -61.98 -45.16 94.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.042 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.37 -50.42 73.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -60.34 -38.51 83.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.335 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.63 -45.43 83.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.866 0.365 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -68.9 -38.07 79.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.678 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.79 -48.44 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 177.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.482 ' HA ' ' HB3' ' B' ' 63' ' ' LYS . 26.0 tt0 -65.7 -26.22 67.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.988 -176.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.06 -48.42 73.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.422 HD23 ' HB1' ' B' ' 21' ' ' ALA . 69.1 mt -67.11 -32.02 72.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.879 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HB3' ' HA ' ' B' ' 60' ' ' GLN . 88.4 tttt -64.15 -38.34 90.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.727 177.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 21.5 m -72.49 -24.55 61.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.283 177.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.8 88.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.328 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.97 21.53 73.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.839 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.746 HD11 HG13 ' B' ' 18' ' ' VAL . 6.7 mp -90.3 -45.15 9.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.516 0.198 . . . . 0.0 111.486 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -129.06 154.74 40.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.71 0.291 . . . . 0.0 111.436 -177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.414 ' HG3' ' HB2' ' B' ' 82' ' ' ALA . 31.1 mt-10 -137.6 161.77 35.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.094 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.47 143.46 28.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.271 0.558 . . . . 0.0 111.84 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.823 ' HB3' ' HB2' ' B' ' 78' ' ' TYR . 21.4 ttt180 -116.97 105.79 12.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.976 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -84.04 98.51 9.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.434 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -117.71 115.58 25.33 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.93 -102.12 1.39 Allowed Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -177.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.9 t -130.24 -4.09 4.4 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.001 0.429 . . . . 0.0 110.621 177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -104.66 156.27 18.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.055 0.455 . . . . 0.0 111.219 -174.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -105.27 113.44 27.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.089 -177.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.823 ' HB2' ' HB3' ' B' ' 71' ' ' ARG . 77.2 m-85 -90.95 157.13 17.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.607 171.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -130.78 140.76 50.32 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 170.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.616 ' HD2' ' HG2' ' B' ' 38' ' ' GLU . 15.0 ptm180 -144.34 162.07 37.38 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.84 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 68.2 mt -66.65 129.86 31.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 171.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' B' ' 69' ' ' GLU . . . -53.13 -70.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.749 0.656 . . . . 0.0 111.907 -172.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -106.22 157.59 15.88 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.686 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -70.22 -25.04 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.7 -41.74 98.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.22 174.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.467 HG11 ' HA ' ' B' ' 67' ' ' LEU . 25.7 t -66.41 -38.87 82.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.177 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.21 99.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.501 177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -68.17 -29.35 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.951 178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.32 -44.79 95.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.35 -0.386 . . . . 0.0 109.974 176.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -63.46 -42.25 98.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.545 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.31 -38.49 81.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.784 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 89' ' ' LEU . 6.6 tt -61.41 -50.5 72.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.361 -178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.0 -32.23 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.306 . . . . 0.0 110.581 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -61.4 -43.98 97.94 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.147 175.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 91' ' ' ALA . 62.2 t -57.37 -53.42 44.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.852 178.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.13 -46.71 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.71 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.487 ' O ' HD23 ' B' ' 101' ' ' LEU . . . -56.96 -54.12 50.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.489 -179.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -69.62 -48.88 58.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.471 -175.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.72 -37.26 86.99 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -173.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -78.34 -8.84 58.9 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.8 -176.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.487 HD23 ' O ' ' B' ' 97' ' ' ALA . 1.0 OUTLIER -82.28 93.52 7.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.933 0.397 . . . . 0.0 111.14 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 71.6 -6.98 1.29 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 171.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -83.27 -27.47 29.83 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 119.799 -0.76 . . . . 0.0 111.461 -176.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.416 ' O ' ' HB3' ' B' ' 105' ' ' HIS . 22.1 p80 -149.93 107.16 3.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.112 0.482 . . . . 0.0 111.981 177.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' B' ' 104' ' ' HIS . 20.5 p80 177.88 109.97 0.03 OUTLIER 'General case' 0 C--O 1.235 0.297 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.24 169.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -102.56 -69.37 0.79 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -146.45 -48.97 0.2 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 171.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 17.5 p80 . . . . . 0 C--O 1.245 0.851 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.395 170.634 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.733 0.301 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.66 104.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.993 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -133.77 -61.69 0.07 OUTLIER Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 63.07 25.09 14.81 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.022 0.439 . . . . 0.0 110.785 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -161.83 -74.88 0.05 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 61.68 22.83 13.26 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.111 168.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 45.7 ttm105 -64.75 -47.95 76.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.272 0.558 . . . . 0.0 110.062 179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -70.2 -33.1 71.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.112 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.79 -43.04 90.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.264 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.37 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.206 0.527 . . . . 0.0 110.722 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.2 mt -73.2 -41.61 63.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.415 -179.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 mt -70.43 -28.93 65.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.018 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.27 -42.68 99.15 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.426 ' HG2' HD11 ' B' ' 101' ' ' LEU . 1.2 tp60 -64.24 -41.32 97.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.653 176.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 11' ' ' LEU . 90.3 t -62.16 -52.13 63.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-O 120.96 0.409 . . . . 0.0 110.522 177.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' B' ' 22' ' ' LEU . . . -63.66 -28.05 69.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.713 179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.7 ttm-85 -63.65 -40.76 97.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.552 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG13 HD11 ' A' ' 67' ' ' LEU . 84.2 t -64.26 -48.72 84.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.092 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.39 99.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.161 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -65.51 -27.56 68.56 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.6 0.36 . . . . 0.0 111.07 178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.05 -11.59 43.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.679 177.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.3 tp -98.0 -10.68 24.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.903 -177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.77 55.34 2.68 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.688 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 24.4 t-20 -170.83 110.91 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.488 176.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -31.19 78.26 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.231 -0.509 . . . . 0.0 113.407 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -60.94 -38.73 86.89 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.922 0.361 . . . . 0.0 111.756 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 24' ' ' ASN . 9.3 ptp180 -80.28 -24.28 40.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.972 0.415 . . . . 0.0 110.527 179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 24' ' ' ASN . 69.8 mt -73.85 -13.43 60.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.143 -176.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -60.73 -33.17 72.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.326 0.584 . . . . 0.0 109.862 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.58 -42.9 90.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.278 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HA ' ' HB2' ' A' ' 34' ' ' LEU . 77.3 mt -66.52 -30.77 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.907 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -62.9 -36.86 84.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.076 0.465 . . . . 0.0 110.089 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.3 tp -78.12 -36.48 47.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.679 176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' A' ' 31' ' ' LEU . 2.7 mm? -70.21 -27.3 64.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.845 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.23 -17.36 64.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.101 0.477 . . . . 0.0 110.835 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -83.31 -22.74 32.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.315 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 152.16 -175.43 30.86 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.101 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -72.18 127.04 31.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.133 0.492 . . . . 0.0 110.295 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -119.33 143.32 47.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.738 -173.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' HG13 ' A' ' 44' ' ' ILE . . . -77.5 148.79 35.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 77' ' ' GLN . 57.4 t -53.34 -39.11 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.877 0.37 . . . . 0.0 111.079 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 42.9 mt-10 -61.75 -49.3 76.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.132 179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.13 89.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.777 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -62.21 -48.99 85.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.534 177.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.75 84.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.363 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -57.48 -51.77 68.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.71 99.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.969 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.412 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 23.1 p -81.65 -11.99 58.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 76.73 36.2 37.99 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.674 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.412 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 23.5 ptp -132.68 175.16 9.56 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.693 0.246 . . . . 0.0 110.639 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -81.51 164.84 21.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.79 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 42' ' ' GLU . 92.0 mt -61.18 -44.22 97.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.7 m -67.18 -31.79 72.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.818 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.7 m -71.27 -45.79 62.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.237 0.541 . . . . 0.0 110.358 178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.58 -43.49 89.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.077 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.6 p -67.96 -26.89 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.23 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 -43.17 87.86 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.206 0.527 . . . . 0.0 110.271 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -67.05 -42.9 84.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.078 176.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.66 -36.29 78.35 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.732 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -60.55 -41.94 95.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.157 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.67 -38.18 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.951 178.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.84 -28.45 65.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.212 0.53 . . . . 0.0 110.475 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -71.33 -45.36 63.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.321 178.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 p -72.24 -26.88 62.18 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.35 -25.6 74.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.781 171.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.78 23.09 21.82 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.901 177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.575 HD11 HG13 ' A' ' 18' ' ' VAL . 10.1 mp -96.28 -41.5 8.62 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.4 m -117.51 155.23 19.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.308 0.575 . . . . 0.0 111.912 -176.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.54 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 47.7 mt-10 -110.98 168.38 9.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.642 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.428 ' HB1' HE21 ' A' ' 77' ' ' GLN . . . -126.83 122.53 34.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.898 0.38 . . . . 0.0 111.205 -178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HB3' ' OE2' ' A' ' 73' ' ' GLU . 17.0 mtp180 -123.96 123.09 39.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.415 175.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -97.06 105.99 18.24 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 71' ' ' ARG . 35.7 mm-40 -100.6 104.06 15.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.571 -178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 70.87 -112.18 4.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.885 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 m -104.44 -13.38 16.09 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.965 0.412 . . . . 0.0 110.707 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 40.1 mtt-85 -102.33 145.51 29.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.518 -176.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.428 HE21 ' HB1' ' A' ' 70' ' ' ALA . 35.9 tt0 -105.89 130.9 53.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.062 0.458 . . . . 0.0 109.935 177.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -112.84 148.56 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.196 -178.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -120.56 139.9 52.26 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.374 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -142.74 163.03 33.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.401 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.65 135.47 27.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.54 ' HA ' ' HG3' ' A' ' 69' ' ' GLU . . . -55.24 -38.32 68.34 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.386 0.514 . . . . 0.0 112.386 -174.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -169.49 173.71 43.8 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.988 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -62.09 -27.84 69.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.818 0.342 . . . . 0.0 110.532 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -60.05 -47.52 85.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.689 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.2 t -66.07 -40.37 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.633 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.28 94.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.641 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 46.6 mtm180 -66.21 -32.47 73.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.753 178.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.8 tp -59.68 -49.38 77.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.378 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.53 -36.8 85.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.477 -179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -69.65 -40.69 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.907 178.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.7 tp -72.1 -38.65 69.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.266 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.69 -29.89 46.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.055 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -61.32 -43.16 99.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.709 174.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.444 ' O ' ' HG2' ' A' ' 99' ' ' GLU . 57.5 t -54.4 -52.96 34.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.076 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.457 176.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.588 HG22 HG22 ' B' ' 86' ' ' VAL . 46.4 t -53.84 -47.27 63.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.897 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' HB1' ' CG ' ' B' ' 14' ' ' GLN . . . -60.14 -50.35 74.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.379 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -64.9 -43.78 91.73 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.523 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 95' ' ' VAL . 32.3 mm-40 -63.67 -31.68 72.92 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.95 -177.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -105.58 -2.52 23.42 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -174.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 47.8 tp -65.58 -47.03 77.16 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.878 0.371 . . . . 0.0 111.051 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -148.06 161.35 41.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.873 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -126.12 85.3 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.109 0.48 . . . . 0.0 110.763 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.418 ' O ' ' HB3' ' A' ' 105' ' ' HIS . 21.8 m170 -94.83 -138.35 0.23 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 171.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 104' ' ' HIS . 72.7 t60 72.16 -66.25 0.31 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.367 0.417 . . . . 0.0 111.264 173.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -139.32 99.86 3.85 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -77.46 102.28 6.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.219 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 . . . . . 0 C--O 1.249 1.061 0 O-C-N 123.846 0.716 . . . . 0.0 110.8 178.285 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 72.18 -61.74 0.48 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.609 0.764 . . . . 0.0 111.387 -178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -139.39 166.86 25.42 Favored Glycine 0 N--CA 1.444 -0.798 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -116.8 132.09 56.78 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t 67.34 116.8 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.886 0.741 . . . . 0.0 109.749 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -113.17 15.95 19.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.61 -170.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -70.39 -43.63 69.66 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.949 0.404 . . . . 0.0 110.683 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -63.26 -46.22 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.345 -178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.83 -30.53 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.311 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 -34.21 74.42 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.317 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.09 -32.59 69.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.067 0.46 . . . . 0.0 110.48 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.99 -37.24 61.92 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.571 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -78.01 -14.73 59.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.822 0.344 . . . . 0.0 110.792 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.434 ' O ' ' HB3' ' B' ' 17' ' ' ARG . 7.3 tp60 -76.05 -45.8 32.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.186 176.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.74 -27.02 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.143 0.497 . . . . 0.0 109.948 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.69 -36.44 82.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.281 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' B' ' 14' ' ' GLN . 39.7 ttt180 -62.03 -38.2 87.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.537 176.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -64.37 -50.93 74.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.49 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.04 -29.46 74.44 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.294 178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.76 -39.7 94.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.039 0.447 . . . . 0.0 110.087 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -26.6 63.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 110.561 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 16' ' ' ALA . 0.9 OUTLIER -92.71 21.95 5.14 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.089 -179.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -101.26 13.85 33.79 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -170.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.623 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 1.6 p30 -142.78 162.87 34.33 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.734 -0.604 . . . . 0.0 110.173 172.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.66 -48.86 6.01 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 115.125 0.81 . . . . 0.0 115.125 -166.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 -82.02 -10.63 59.17 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 -166.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.594 ' HG2' ' OD1' ' B' ' 24' ' ' ASN . 22.6 ptt180 -91.82 -9.17 44.44 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 118.986 -1.085 . . . . 0.0 109.957 172.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 85.6 mt -73.15 -27.76 61.84 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -60.89 -31.09 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.081 176.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 63.2 mt -69.75 -39.37 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.314 177.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.99 -41.15 97.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.497 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.21 -33.08 74.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.244 0.545 . . . . 0.0 110.452 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.447 HD22 HG12 ' B' ' 44' ' ' ILE . 10.4 tt -77.27 -28.19 53.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.025 -178.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.584 HD12 HG11 ' B' ' 68' ' ' VAL . 82.2 mt -95.18 -6.93 40.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.314 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -89.66 -8.92 51.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.147 0.499 . . . . 0.0 110.484 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -107.86 12.82 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.584 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.16 176.01 14.14 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.052 -0.594 . . . . 0.0 111.982 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.464 ' C ' ' HD2' ' B' ' 39' ' ' ARG . 0.9 OUTLIER -91.57 125.24 36.24 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.154 0.502 . . . . 0.0 110.623 179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.464 ' HD2' ' C ' ' B' ' 38' ' ' GLU . 2.9 mpt_? -129.04 150.88 50.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.516 177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.473 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -83.07 156.71 23.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.277 178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 35.1 t -49.64 -37.79 12.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 O-C-N 123.6 0.562 . . . . 0.0 111.449 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.1 -50.41 74.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.686 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.85 79.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.125 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.473 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.7 mt -57.43 -50.5 76.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.799 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.16 -42.28 98.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.262 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 61.7 m -62.27 -47.6 83.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.72 74.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.679 -176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 17.4 p -88.19 -7.99 56.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.858 0.361 . . . . 0.0 111.723 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.23 36.56 45.0 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.685 177.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptp -130.72 178.88 6.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.767 0.283 . . . . 0.0 110.341 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -87.32 154.14 20.92 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.65 -42.41 88.33 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.573 0.225 . . . . 0.0 111.565 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 28.8 m -66.28 -36.74 83.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.973 0.416 . . . . 0.0 110.337 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -64.48 -47.14 80.1 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.291 0.567 . . . . 0.0 110.191 176.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.38 90.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.891 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 20.9 t -62.46 -33.55 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.91 -179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.13 73.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.163 0.506 . . . . 0.0 110.43 177.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -64.73 -39.92 94.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.489 177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.37 -35.57 81.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.089 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -64.0 -37.32 86.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.818 0.342 . . . . 0.0 110.182 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.76 -45.75 81.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.579 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 82.4 mt -67.35 -36.27 81.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.591 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' B' ' 70' ' ' ALA . 40.1 ttmt -64.46 -44.47 90.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 49.0 m -67.31 -32.66 73.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.407 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -73.95 -17.15 79.32 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.414 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.97 20.62 49.38 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.92 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -83.51 -40.59 18.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.775 0.321 . . . . 0.0 110.948 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.584 HG11 HD12 ' B' ' 34' ' ' LEU . 27.4 m -133.21 150.27 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.92 0.39 . . . . 0.0 111.731 -176.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -106.09 149.19 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.876 176.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.409 ' HB2' ' HE2' ' B' ' 63' ' ' LYS . . . -102.93 128.69 49.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.986 0.422 . . . . 0.0 110.819 178.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -126.65 108.34 11.01 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.742 177.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' B' ' 72' ' ' ARG . 48.6 mtt180 -83.76 131.31 34.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 0.0 110.53 177.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.94 112.52 9.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.59 -102.53 1.13 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.89 -0.671 . . . . 0.0 111.994 -177.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 27.5 m -113.3 -17.24 12.35 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.188 0.518 . . . . 0.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . 0.529 ' HD2' ' OH ' ' B' ' 78' ' ' TYR . 72.3 mtt180 -98.88 146.57 25.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.16 0.505 . . . . 0.0 111.861 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -100.42 107.88 19.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 171.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.529 ' OH ' ' HD2' ' B' ' 76' ' ' ARG . 97.4 m-85 -92.12 146.59 23.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.267 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.488 ' HB3' HD13 ' B' ' 34' ' ' LEU . 42.8 m-85 -122.01 143.04 49.72 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.192 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 18.9 ttm-85 -145.09 154.78 42.85 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.487 HD13 HG12 ' B' ' 68' ' ' VAL . 43.8 mm -51.67 134.09 13.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 174.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.52 -32.11 62.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.284 -173.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -154.33 152.46 24.03 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -63.0 -31.94 73.19 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 117.067 0.434 . . . . 0.0 110.251 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -64.06 -35.7 81.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.131 176.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 96' ' ' VAL . 36.1 t -69.8 -37.33 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.174 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.57 -37.93 89.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.186 0.517 . . . . 0.0 110.205 177.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.04 -25.26 64.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.993 177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 tt -66.13 -48.91 69.28 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 175.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -63.53 -35.16 79.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.317 178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.514 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.99 -43.17 75.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.837 177.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 60.6 tp -57.47 -51.23 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.216 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.513 ' HA ' HG12 ' B' ' 96' ' ' VAL . 10.5 p -66.47 -29.4 46.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.087 0.47 . . . . 0.0 110.651 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.01 -45.94 72.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.176 176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.514 HG23 ' O ' ' B' ' 91' ' ' ALA . 85.0 t -66.26 -45.65 89.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.216 -179.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 93' ' ' VAL . 8.0 p -61.44 -32.86 54.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.589 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.34 -46.31 28.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.021 0.438 . . . . 0.0 110.588 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -61.74 -37.41 84.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.628 -0.714 . . . . 0.0 112.067 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -85.09 -41.64 15.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.459 -176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -75.5 -28.31 59.12 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.426 HD11 ' HG2' ' A' ' 14' ' ' GLN . 11.0 mp -80.42 149.88 29.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.756 0.312 . . . . 0.0 110.57 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 58.42 91.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.12 -0.945 . . . . 0.0 110.348 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -129.54 93.79 3.62 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -88.06 68.29 9.11 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -159.41 126.04 4.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.321 -179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 59.77 74.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.803 0.689 . . . . 0.0 109.893 -174.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -65.27 -25.14 67.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.572 -174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.633 175.847 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptp . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.778 0.323 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.3 141.96 28.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.339 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.16 43.47 1.83 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.12 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 62.0 -83.2 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.232 0.613 . . . . 0.0 111.05 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 m 61.9 40.42 12.58 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 120.992 0.425 . . . . 0.0 111.824 174.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.81 5.63 10.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.957 0.408 . . . . 0.0 110.852 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.8 ptt-85 -65.53 -15.64 62.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.477 172.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -55.33 -28.7 55.45 Favored 'General case' 0 N--CA 1.458 -0.074 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.275 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.28 -29.91 69.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.118 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.19 -39.4 71.85 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.088 0.471 . . . . 0.0 110.618 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.407 HD21 ' HG3' ' B' ' 94' ' ' GLN . 10.5 tt -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.54 -26.08 66.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.538 178.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -62.1 -50.75 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.818 0.342 . . . . 0.0 110.765 176.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.506 HE21 HG23 ' A' ' 18' ' ' VAL . 23.1 tp60 -67.26 -40.61 86.24 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.374 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -59.68 -44.56 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.768 0.318 . . . . 0.0 110.26 176.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.707 ' HA ' ' O ' ' B' ' 23' ' ' ALA . . . -62.23 -35.74 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.115 178.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.609 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 37.7 ttm105 -73.21 -32.33 64.71 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.725 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 67' ' ' LEU . 70.1 t -73.29 -47.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.19 175.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.17 -41.67 99.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.686 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -59.75 -39.11 83.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.053 0.454 . . . . 0.0 110.538 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.28 -22.82 61.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.117 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.0 tp -80.55 -32.67 36.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.282 0.563 . . . . 0.0 110.3 178.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.34 101.16 4.63 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.349 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -162.93 -67.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.73 176.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 -85.24 0.38 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.349 -178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -73.15 -28.34 62.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HD3' ' OD1' ' A' ' 58' ' ' ASN . 50.7 ttp85 -70.24 -15.81 62.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.106 0.479 . . . . 0.0 110.288 176.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.0 -17.48 60.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.169 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -65.34 -24.86 67.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.41 0.624 . . . . 0.0 109.982 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 62.6 mt -69.97 -36.87 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.961 176.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.5 mt -70.13 -34.97 73.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.033 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.9 -30.79 71.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.31 175.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' HG2' ' A' ' 39' ' ' ARG . 6.9 tt -79.45 -45.14 19.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.955 177.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.27 -11.23 60.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.46 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.01 -14.61 62.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.276 0.56 . . . . 0.0 110.131 174.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -82.15 -20.42 37.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.149 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.96 -155.18 23.68 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.624 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.626 ' HG3' ' HB3' ' A' ' 80' ' ' ARG . 26.9 tt0 -86.91 115.79 24.54 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -178.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HG2' HD21 ' A' ' 33' ' ' LEU . 6.6 tpt180 -125.97 147.97 49.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.804 -171.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.81 156.11 36.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.041 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.42 -41.16 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.827 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 1.8 mp0 -58.74 -45.71 89.05 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.344 -177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.04 97.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.876 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.4 -48.98 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.547 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.69 -50.89 72.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.088 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 25.8 m -59.66 -49.04 79.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.093 -178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.83 -34.09 77.53 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -81.33 -19.52 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.734 0.302 . . . . 0.0 111.228 -179.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 89.87 15.97 57.07 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.328 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -114.32 176.4 5.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.679 0.275 . . . . 0.0 110.532 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -88.15 168.85 12.42 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.39 -46.65 87.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.805 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 t -67.31 -28.26 67.84 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.943 0.401 . . . . 0.0 110.436 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.7 m -71.45 -46.19 60.64 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.382 0.61 . . . . 0.0 109.933 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.8 77.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 p -66.24 -31.11 71.73 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.57 -43.48 96.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.189 0.519 . . . . 0.0 110.208 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.522 ' OD1' ' HD3' ' A' ' 27' ' ' ARG . 34.9 m-80 -72.37 -35.37 68.46 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.719 178.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.424 HD23 HD12 ' A' ' 62' ' ' LEU . 78.9 mt -65.1 -36.98 86.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.737 176.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -61.47 -42.87 99.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.883 176.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.56 91.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.764 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.424 HD12 HD23 ' A' ' 59' ' ' LEU . 87.3 mt -63.44 -41.62 98.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.723 177.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.1 ttmt -68.87 -36.28 77.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.547 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 44.8 m -63.78 -31.18 72.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.903 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.609 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -77.73 -26.81 60.01 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.039 175.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 101.97 21.04 11.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.336 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.519 HD11 HG13 ' A' ' 18' ' ' VAL . 1.4 mp -94.49 -40.45 9.88 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -175.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 m -123.77 163.41 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.278 0.561 . . . . 0.0 112.171 -174.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -126.69 172.8 10.0 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.868 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.457 ' HB2' ' CE2' ' A' ' 79' ' ' TYR . . . -144.9 132.66 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.858 0.361 . . . . 0.0 111.021 -177.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' HD3' HH11 ' A' ' 71' ' ' ARG . 59.6 mtt-85 -124.64 121.78 35.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.034 176.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 55.4 ttm-85 -81.0 96.76 7.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 174.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -109.83 129.61 55.62 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.01 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.68 -101.14 0.97 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.594 -0.813 . . . . 0.0 111.441 -176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.5 m -131.86 1.82 3.99 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 0.0 110.485 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.536 ' HD3' ' OE1' ' A' ' 42' ' ' GLU . 57.0 mtt180 -119.27 168.79 10.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.036 -175.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -102.66 122.55 44.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.713 173.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HB3' ' HG2' ' A' ' 38' ' ' GLU . 55.6 m-85 -108.3 124.99 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 177.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' ' HB2' ' A' ' 70' ' ' ALA . 27.1 m-85 -100.52 148.05 25.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.266 0.555 . . . . 0.0 110.43 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.626 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . 6.2 ptm180 -144.75 169.85 17.22 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.938 -175.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.6 mt -83.11 140.22 16.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 174.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 39.26 0.46 Allowed 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 143.13 138.25 3.4 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.93 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.66 -30.05 70.69 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.923 0.392 . . . . 0.0 110.149 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.1 -34.7 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.492 . . . . 0.0 109.948 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.4 t -72.0 -35.5 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.868 176.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.04 -45.46 92.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.856 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -72.73 -20.33 61.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.67 -49.54 74.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -66.55 -37.47 85.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.44 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.95 -44.84 91.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.885 178.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.45 -51.25 70.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.896 -178.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.0 p -66.09 -30.14 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-O 120.701 0.286 . . . . 0.0 110.925 -178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -69.35 -40.59 77.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.796 0.331 . . . . 0.0 110.207 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.1 t -63.19 -47.19 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.431 176.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.67 -39.66 80.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.572 176.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 100' ' ' HIS . . . -60.01 -49.1 78.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.767 177.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -64.61 -48.52 74.57 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -64.59 -22.38 66.96 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.122 0.487 . . . . 0.0 110.741 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 97' ' ' ALA . 10.9 m170 -61.41 -31.31 71.23 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.557 176.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -74.43 -41.08 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -80.16 -41.14 25.91 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.467 -174.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 62.9 -171.47 0.17 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.86 0.362 . . . . 0.0 110.085 -174.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -137.4 36.46 2.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.571 0.7 . . . . 0.0 109.77 170.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -78.57 71.39 5.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.367 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -166.26 22.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.346 -0.843 . . . . 0.0 108.954 177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -160.91 -69.75 0.06 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.668 -175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 30.2 p80 . . . . . 0 C--O 1.247 0.952 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 171.862 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.902 0.382 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.48 98.44 3.07 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.481 -178.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.73 -13.75 71.85 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.963 178.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 60.92 25.06 15.06 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.131 0.491 . . . . 0.0 110.981 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -113.09 122.59 48.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.913 179.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -110.25 22.6 15.34 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -64.9 -38.97 92.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.894 -172.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' B' ' 12' ' ' LEU . 18.1 ptpt -61.32 -24.95 66.81 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.44 -31.04 71.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.798 178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.73 -30.36 62.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.118 0.485 . . . . 0.0 110.278 178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.451 ' O ' HG23 ' B' ' 15' ' ' VAL . 9.9 mp -74.26 -41.55 61.09 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' B' ' 8' ' ' LYS . 89.2 mt -62.54 -35.87 80.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.351 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 21.3 t70 -63.39 -43.02 98.75 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.487 175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -62.07 -45.21 94.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.953 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' B' ' 11' ' ' LEU . 86.9 t -59.42 -39.52 79.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.299 176.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.02 -35.55 81.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.043 177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 57.3 mtt180 -65.37 -42.31 92.85 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 109.964 176.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.482 HG13 HD11 ' B' ' 67' ' ' LEU . 91.3 t -62.09 -42.92 96.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.662 174.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.28 -26.47 71.66 Favored Glycine 0 C--O 1.221 -0.697 0 CA-C-N 115.308 -0.86 . . . . 0.0 113.014 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.96 -30.83 58.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 117.299 0.55 . . . . 0.0 110.859 177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' B' ' 62' ' ' LEU . . . -77.05 -42.06 39.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 109.913 175.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.483 ' HB2' HD21 ' B' ' 67' ' ' LEU . 33.0 tp -90.15 19.54 4.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.242 179.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 16' ' ' ALA . . . -69.01 -81.18 0.04 OUTLIER 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.53 -176.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.412 ' CB ' ' HB1' ' A' ' 16' ' ' ALA . 29.8 p30 -146.88 178.78 8.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.145 0.498 . . . . 0.0 111.762 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.66 173.91 30.83 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.239 -0.891 . . . . 0.0 113.345 172.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -70.89 -3.17 17.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.99 0.424 . . . . 0.0 110.672 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.565 ' HG2' ' HB3' ' B' ' 58' ' ' ASN . 76.9 mtm180 -58.55 -35.6 72.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 170.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' B' ' 31' ' ' LEU . 66.1 mt -66.65 -33.44 75.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.854 177.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -66.75 -36.29 82.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.677 177.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.5 HG12 HG21 ' B' ' 48' ' ' THR . 67.2 mt -66.23 -39.65 84.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.263 177.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' B' ' 28' ' ' LEU . 96.0 mt -56.58 -46.74 80.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.193 179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.598 ' O ' ' HG3' ' B' ' 36' ' ' GLN . 19.9 t70 -62.0 -41.38 97.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.145 0.497 . . . . 0.0 110.258 176.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.401 ' HG ' ' NE ' ' B' ' 39' ' ' ARG . 30.6 tp -63.6 -33.42 75.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.16 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.456 HD12 HG11 ' B' ' 68' ' ' VAL . 69.3 mt -85.49 -19.2 31.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.947 0.403 . . . . 0.0 111.024 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 -26.66 60.22 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 109.848 174.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' B' ' 32' ' ' ASP . 74.8 mt-30 -69.52 -27.95 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.672 177.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.88 171.87 33.48 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.386 -0.911 . . . . 0.0 112.288 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.51 ' HG3' ' HB2' ' B' ' 80' ' ' ARG . 25.3 tt0 -75.37 125.6 29.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.401 ' NE ' ' HG ' ' B' ' 33' ' ' LEU . 26.9 ttm-85 -135.06 137.23 42.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.128 0.49 . . . . 0.0 111.468 -171.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.479 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -77.78 151.83 33.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.687 178.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -49.43 -46.67 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 O-C-N 123.484 0.49 . . . . 0.0 112.099 -177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.438 ' HG2' HD21 ' B' ' 52' ' ' LEU . 38.3 mt-10 -58.53 -41.91 86.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.371 . . . . 0.0 111.117 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.95 -41.02 71.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.633 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.7 mt -58.92 -51.66 69.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.28 177.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -56.08 -49.23 74.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.366 -178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 27.8 m -60.98 -48.82 80.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.434 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.64 -33.59 76.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.938 0.399 . . . . 0.0 111.777 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . 0.5 HG21 HG12 ' B' ' 30' ' ' ILE . 28.3 p -86.03 -15.33 41.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.455 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.43 19.85 67.94 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.45 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 75.3 mtm -115.57 152.26 33.39 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -72.81 158.45 35.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.438 HD21 ' HG2' ' B' ' 42' ' ' GLU . 8.0 mp -54.35 -35.52 62.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.514 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 39.0 p -64.52 -46.13 84.24 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.156 0.503 . . . . 0.0 110.671 179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 18.7 m -66.72 -45.74 77.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.94 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.98 -52.95 63.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.197 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -56.39 -49.69 73.74 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.284 0.365 . . . . 0.0 111.224 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.01 -43.44 77.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.086 0.47 . . . . 0.0 111.423 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.565 ' HB3' ' HG2' ' B' ' 27' ' ' ARG . 46.4 m-80 -73.5 -36.65 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.416 HD21 HG21 ' B' ' 30' ' ' ILE . 87.9 mt -64.6 -42.79 95.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.736 176.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -62.68 -33.26 74.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.3 -48.97 68.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.747 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.469 ' HA ' ' HB1' ' B' ' 21' ' ' ALA . 70.7 mt -60.75 -37.28 81.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.18 177.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -68.67 -35.95 77.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.157 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 53.0 m -70.22 -23.39 62.92 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.819 0.343 . . . . 0.0 110.851 178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.42 -13.2 74.03 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.918 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.43 22.36 47.81 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.305 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.631 ' HA ' HG11 ' B' ' 86' ' ' VAL . 8.7 mp -86.27 -48.49 8.48 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.87 0.367 . . . . 0.0 111.082 -179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.456 HG11 HD12 ' B' ' 34' ' ' LEU . 33.5 m -126.91 155.32 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.655 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -119.32 167.3 12.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.06 111.75 18.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.862 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -97.1 107.61 20.17 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.711 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -91.62 102.69 15.33 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.736 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.33 107.05 13.4 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.316 -177.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.81 -115.02 4.82 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.444 -174.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 2.6 m -106.55 -6.95 17.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.201 0.524 . . . . 0.0 110.176 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 74.5 mtt180 -98.14 136.84 37.8 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.301 0.572 . . . . 0.0 111.679 -173.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -103.75 109.95 21.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.486 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.428 ' HB3' ' HG2' ' B' ' 38' ' ' GLU . 97.1 m-85 -93.5 122.19 35.68 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.056 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -103.04 133.63 47.83 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.172 0.51 . . . . 0.0 110.272 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.546 ' HD2' ' N ' ' B' ' 81' ' ' ILE . 1.5 tmm_? -151.19 156.1 40.23 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.546 ' N ' ' HD2' ' B' ' 80' ' ' ARG . 33.7 mm -51.13 128.2 8.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 O-C-N 123.307 0.379 . . . . 0.0 110.646 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.04 89.61 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.507 -173.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.83 147.77 19.23 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' B' ' 88' ' ' ARG . 34.6 tt0 -62.86 -33.44 75.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.03 0.415 . . . . 0.0 110.335 -176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . 0.577 ' HA ' ' HD2' ' B' ' 88' ' ' ARG . 6.7 m-20 -62.48 -31.94 72.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.762 178.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.631 HG11 ' HA ' ' B' ' 67' ' ' LEU . 61.7 t -65.93 -43.19 92.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-O 121.161 0.505 . . . . 0.0 109.779 175.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.41 91.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.33 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.577 ' HD2' ' HA ' ' B' ' 85' ' ' ASP . 97.8 mtt180 -61.33 -39.84 92.01 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.146 176.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 52.6 tp -63.55 -47.23 82.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.686 178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . 0.413 ' HA ' HG12 ' B' ' 93' ' ' VAL . 89.2 t80 -64.52 -38.59 91.54 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.586 179.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.415 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -66.86 -39.86 87.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.287 177.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.545 ' O ' HG23 ' B' ' 96' ' ' VAL . 52.3 tp -62.9 -53.53 52.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.518 179.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' B' ' 90' ' ' PHE . 11.5 p -64.66 -26.85 41.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . 0.407 ' HG3' HD21 ' A' ' 11' ' ' LEU . 8.0 tt0 -61.25 -46.9 88.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.077 0.465 . . . . 0.0 109.81 174.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.481 ' O ' ' HG3' ' B' ' 99' ' ' GLU . 60.9 t -68.63 -42.44 83.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.293 177.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.545 HG23 ' O ' ' B' ' 92' ' ' LEU . 95.0 t -61.77 -15.58 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 121.366 0.603 . . . . 0.0 110.942 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.675 ' O ' ' HG ' ' B' ' 101' ' ' LEU . . . -85.96 -56.84 3.28 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 121.759 -0.588 . . . . 0.0 110.723 173.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -67.55 -44.7 77.66 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -170.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 95' ' ' VAL . 0.1 OUTLIER -92.05 -13.72 30.44 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.938 -172.328 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -86.95 -19.73 28.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.967 0.413 . . . . 0.0 110.455 -177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' B' ' 97' ' ' ALA . 74.1 mt -81.76 -24.34 36.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.928 175.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -74.19 121.57 21.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.984 -174.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -99.16 110.14 22.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.585 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . 0.519 ' HB3' ' HB3' ' B' ' 107' ' ' HIS . 34.1 m80 -84.46 -45.52 12.58 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 178.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 66.84 -66.09 0.19 Allowed 'General case' 0 N--CA 1.468 0.427 0 O-C-N 124.281 0.988 . . . . 0.0 111.622 176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -70.38 -38.48 74.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.134 -177.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . 0.519 ' HB3' ' HB3' ' B' ' 104' ' ' HIS . 47.2 t60 -79.3 107.34 11.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.384 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.572 -0.727 . . . . 0.0 109.341 176.416 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.32 81.16 5.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.368 0.604 . . . . 0.0 110.872 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.92 133.9 1.58 Allowed Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.371 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -70.65 101.24 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.087 0.47 . . . . 0.0 110.08 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -87.86 119.33 28.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.896 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 49.97 70.5 0.49 Allowed 'General case' 0 N--CA 1.467 0.379 0 O-C-N 124.297 0.998 . . . . 0.0 111.749 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -90.12 -61.87 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.981 -178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.91 -29.15 69.42 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.532 0.206 . . . . 0.0 111.12 -174.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 13' ' ' ASP . . . -57.46 -29.31 64.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.509 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.62 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 178.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' B' ' 98' ' ' ASP . 4.2 mm? -69.75 -51.5 33.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.828 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.92 -19.98 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.36 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 9' ' ' ALA . 25.8 t70 -65.57 -43.34 90.12 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.847 175.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.527 ' HB2' ' HB1' ' B' ' 97' ' ' ALA . 4.7 mm-40 -67.69 -45.61 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.962 178.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.86 -39.76 58.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.398 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.54 -54.4 47.32 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.581 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -69.37 -34.84 75.16 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.804 -177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 14' ' ' GLN . 96.5 t -64.71 -50.0 77.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.905 0.383 . . . . 0.0 110.238 177.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.05 -34.32 86.35 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.356 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -68.82 -35.61 77.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.634 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -35.98 72.91 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.0 0.429 . . . . 0.0 110.211 176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.5 -35.62 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.987 179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.36 100.4 3.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.322 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.32 -41.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.264 176.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 82.07 -53.18 4.72 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.05 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -59.33 -43.55 92.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.725 0.297 . . . . 0.0 111.108 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -72.29 -15.62 61.9 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -177.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD12 ' HA2' ' A' ' 25' ' ' GLY . 80.4 mt -76.03 -14.14 60.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.817 0.341 . . . . 0.0 111.016 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -65.72 -25.45 67.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.174 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.615 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 69.9 mt -69.44 -48.74 65.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 176.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.435 HD21 ' HB3' ' A' ' 67' ' ' LEU . 96.1 mt -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.992 0.425 . . . . 0.0 110.44 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.13 -38.16 90.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.85 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.587 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 52.6 tp -72.88 -33.86 66.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.624 178.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 73.9 mt -79.77 -12.92 59.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.968 0.413 . . . . 0.0 110.958 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.58 -18.88 61.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.029 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 3.8 pt20 -100.49 6.83 44.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.15 0.5 . . . . 0.0 110.149 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 138.07 156.37 7.12 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.961 -0.637 . . . . 0.0 112.293 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 38' ' ' GLU . 8.2 pt-20 -71.47 131.88 43.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.04 0.448 . . . . 0.0 109.845 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.85 139.35 53.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.657 -170.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -66.57 159.49 27.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.155 177.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.7 t -52.39 -52.63 24.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.607 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.22 -37.6 83.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.795 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.12 -45.48 84.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.515 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.2 mt -60.98 -44.48 98.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.542 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.1 -48.32 82.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.971 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.4 m -61.99 -47.52 84.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.16 -38.63 89.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.652 -176.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.0 p -85.79 -14.18 45.92 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.792 0.33 . . . . 0.0 111.534 -178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 77.52 25.5 63.05 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.185 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.8 mtm -110.55 175.84 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.432 ' HB2' ' OG1' ' A' ' 54' ' ' THR . 0.9 OUTLIER -80.63 160.68 24.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.692 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.3 mp -64.83 -35.49 81.29 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.6 m -60.28 -46.82 88.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.245 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 51' ' ' ASN . 3.0 m -62.47 -46.44 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.62 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -61.33 -56.09 24.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.113 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.2 p -60.53 -36.09 77.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.736 -175.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.3 -43.93 96.48 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.943 0.402 . . . . 0.0 110.842 179.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -73.19 -35.08 66.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.813 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 96.2 mt -61.46 -45.07 95.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.718 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -64.82 -37.32 87.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.626 178.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.38 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.037 178.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 67' ' ' LEU . 87.8 mt -65.45 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.716 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -63.35 -35.05 79.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.369 . . . . 0.0 110.28 174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.2 m -69.17 -25.2 64.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.836 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -90.89 -11.66 61.42 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.171 175.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.32 25.48 28.38 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.693 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 62' ' ' LEU . 3.9 mm? -90.86 -48.25 7.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.8 m -119.23 157.74 20.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.22 0.533 . . . . 0.0 112.065 -174.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.871 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.96 159.99 32.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.969 179.203 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.38 129.67 52.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.232 0.539 . . . . 0.0 111.869 -174.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -109.0 117.2 33.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.358 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -89.44 115.78 27.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.015 0.436 . . . . 0.0 111.272 -177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -132.7 99.3 4.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.62 173.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.77 -129.07 27.11 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.919 -177.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.4 p -87.6 -5.17 58.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.731 0.301 . . . . 0.0 111.529 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -107.42 141.47 38.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.568 . . . . 0.0 111.746 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -114.17 117.56 31.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.506 173.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 89.0 m-85 -89.51 125.91 35.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.385 178.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.47 ' CE2' ' HB3' ' A' ' 59' ' ' LEU . 31.6 m-85 -99.77 145.5 27.63 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.449 0.642 . . . . 0.0 110.348 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.486 ' HE ' ' HB3' ' A' ' 69' ' ' GLU . 31.4 ptt180 -144.4 170.54 15.82 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 114.764 -1.107 . . . . 0.0 108.734 -173.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.82 127.96 31.49 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 172.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.871 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -53.17 -46.96 69.16 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.386 0.429 . . . . 0.0 111.891 -172.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -143.86 159.5 27.62 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.808 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -66.93 -22.0 65.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.305 0.574 . . . . 0.0 109.833 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.47 -48.69 78.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.423 174.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.72 -35.67 61.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.464 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.6 -48.4 81.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.921 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -75.71 -24.95 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.836 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.446 HD11 HG22 ' B' ' 93' ' ' VAL . 9.3 tt -65.38 -45.75 82.83 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.559 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 60.5 t80 -64.15 -41.61 97.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.009 178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -63.6 -36.64 84.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.728 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 7.9 tt -65.11 -48.55 73.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.749 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.526 ' HA ' HG12 ' A' ' 96' ' ' VAL . 26.6 m -65.33 -28.72 45.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.672 0.273 . . . . 0.0 111.018 -177.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.654 ' HA ' HD21 ' B' ' 11' ' ' LEU . 55.9 mt-30 -64.28 -46.08 85.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.32 . . . . 0.0 110.166 175.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 91' ' ' ALA . 61.2 t -65.58 -50.26 72.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 93' ' ' VAL . 12.3 p -63.02 -30.76 50.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-O 120.703 0.287 . . . . 0.0 111.492 -175.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.473 ' O ' ' HG ' ' A' ' 101' ' ' LEU . . . -84.99 -46.21 11.42 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 122.371 -0.206 . . . . 0.0 111.491 -178.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.569 ' HB2' HD12 ' B' ' 11' ' ' LEU . 14.0 t70 -76.67 -41.19 46.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -173.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.84 -19.45 65.89 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -170.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 12.0 p80 -96.59 -3.49 42.88 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.127 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 97' ' ' ALA . 96.3 mt -80.03 -53.85 6.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.703 0.287 . . . . 0.0 111.154 -177.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.39 121.04 9.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.858 -172.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 64.52 15.77 9.83 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.381 174.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' HIS . 73.1 t60 -134.99 41.98 2.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.341 0.591 . . . . 0.0 110.167 -179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -152.29 112.61 4.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.266 0.555 . . . . 0.0 110.642 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -115.57 13.13 16.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.025 0.441 . . . . 0.0 110.448 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 108' ' ' HIS . 79.3 t60 -155.78 86.39 1.05 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 107' ' ' HIS . 83.3 t60 . . . . . 0 C--O 1.245 0.845 0 O-C-N 123.871 0.732 . . . . 0.0 109.813 -170.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptp . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.842 0.353 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.54 -50.0 0.24 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.177 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 135.09 110.0 1.07 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.723 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -83.82 77.93 9.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.969 0.414 . . . . 0.0 110.276 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 53.5 m -111.05 153.16 26.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.355 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -93.52 126.95 38.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.294 -174.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 36.3 mtm-85 -92.54 -5.5 51.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.034 0.445 . . . . 0.0 111.12 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -89.1 -39.64 13.48 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.44 93.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.171 174.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.19 -28.23 67.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 94' ' ' GLN . 7.0 tt -68.08 -51.06 50.77 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 178.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.562 ' HA ' HG22 ' B' ' 15' ' ' VAL . 84.8 mt -63.32 -34.42 77.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.762 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.74 -42.39 99.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.822 177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.443 HE21 ' HB1' ' A' ' 97' ' ' ALA . 24.4 mt-30 -73.66 -43.46 59.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.741 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.562 HG22 ' HA ' ' B' ' 12' ' ' LEU . 33.4 m -69.89 -28.01 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.434 -0.506 . . . . 0.0 111.023 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.94 -33.06 70.12 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.493 ' HG2' ' HA2' ' B' ' 65' ' ' GLY . 56.0 ttp180 -63.27 -44.37 95.3 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.082 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' B' ' 22' ' ' LEU . 96.7 t -60.8 -51.85 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.572 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.27 -30.23 76.91 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.405 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -64.76 -35.19 80.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.92 0.39 . . . . 0.0 110.37 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.451 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -77.27 -29.36 53.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.84 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 18' ' ' VAL . 91.2 mt -72.9 -35.34 67.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.618 178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.3 92.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.731 178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -176.01 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.932 -178.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.73 -55.7 4.41 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.795 178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.418 ' HD3' ' H ' ' B' ' 26' ' ' ARG . 0.1 OUTLIER -70.74 -37.37 73.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.99 -175.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.78 -13.29 62.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.975 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.1 -18.82 62.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.623 0.249 . . . . 0.0 111.273 -177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -65.02 -28.32 69.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.923 0.392 . . . . 0.0 110.31 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 50.0 mm -64.69 -47.08 90.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.945 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.12 -39.67 95.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.847 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.44 -45.89 90.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.835 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.06 -43.91 70.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.069 -178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.561 HD12 HG11 ' B' ' 68' ' ' VAL . 54.0 mt -78.17 -5.97 53.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.884 -175.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.78 4.01 54.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 110.177 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -113.92 8.58 17.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.816 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.92 -160.05 26.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.599 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.54 127.72 54.67 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 -123.25 142.34 51.03 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.176 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.416 ' O ' HG13 ' B' ' 44' ' ' ILE . . . -72.27 155.28 40.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.964 177.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 48.3 t -51.75 -42.1 30.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.442 0.464 . . . . 0.0 111.226 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.553 ' HG2' HD21 ' B' ' 52' ' ' LEU . 35.4 mt-10 -60.58 -41.2 94.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.096 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.21 68.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.938 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' B' ' 79' ' ' TYR . 72.1 mt -59.43 -45.26 93.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.401 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.05 -52.52 64.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.732 177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.0 m -60.18 -48.7 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.5 -178.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -34.95 76.37 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.137 -175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 21.4 p -87.04 -21.51 26.05 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.663 0.268 . . . . 0.0 111.396 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.49 66.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.074 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.1 mtm -107.66 123.6 48.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -56.28 155.87 6.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.212 0.32 . . . . 0.0 111.079 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . 0.553 HD21 ' HG2' ' B' ' 42' ' ' GLU . 9.4 mp -45.67 -47.5 15.02 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -170.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 22.6 m -60.26 -45.4 93.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.009 0.433 . . . . 0.0 110.929 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.1 m -67.37 -40.96 85.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.742 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' B' ' 59' ' ' LEU . . . -62.94 -50.47 70.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.164 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . 0.537 ' HA ' HD12 ' B' ' 59' ' ' LEU . 21.0 p -66.43 -26.38 67.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.379 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.87 79.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.925 0.393 . . . . 0.0 110.258 175.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -69.5 -37.05 77.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.473 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' B' ' 56' ' ' SER . 92.8 mt -58.97 -46.71 87.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.679 175.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -62.95 -37.53 87.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.893 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.54 94.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.898 0.38 . . . . 0.0 110.946 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.451 HD23 ' HB1' ' B' ' 21' ' ' ALA . 90.8 mt -71.63 -35.92 70.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -68.02 -36.77 80.52 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 45.5 t -64.65 -28.57 69.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.447 176.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.493 ' HA2' ' HG2' ' B' ' 17' ' ' ARG . . . -75.16 -27.75 63.49 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.745 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 102.49 20.87 11.23 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.161 -0.543 . . . . 0.0 112.136 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.63 -54.18 4.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.156 0.503 . . . . 0.0 111.302 -177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.561 HG11 HD12 ' B' ' 34' ' ' LEU . 32.3 m -115.55 164.66 11.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.147 0.498 . . . . 0.0 112.001 -173.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -127.55 172.86 10.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.924 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -139.89 129.81 24.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -177.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -110.24 155.44 22.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.757 0.313 . . . . 0.0 110.556 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.412 ' HD2' ' HG2' ' B' ' 77' ' ' GLN . 19.8 mmm180 -91.75 133.54 35.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.073 176.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -139.89 97.35 3.23 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 174.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 69.51 -108.12 2.36 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.642 -176.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 39.6 m -104.27 -22.3 13.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.895 0.378 . . . . 0.0 111.025 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -109.98 157.64 19.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.17 0.509 . . . . 0.0 111.627 -172.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.412 ' HG2' ' HD2' ' B' ' 72' ' ' ARG . 53.5 mt-30 -99.25 143.77 29.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.187 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -115.29 129.99 56.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.327 174.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.539 ' HB2' HD11 ' B' ' 44' ' ' ILE . 28.5 m-85 -101.16 151.5 21.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.142 0.496 . . . . 0.0 110.99 -179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.511 ' HG2' ' N ' ' B' ' 81' ' ' ILE . 33.4 ttm180 -161.67 164.26 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.511 ' N ' ' HG2' ' B' ' 80' ' ' ARG . 49.1 mm -59.35 140.49 17.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 173.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -51.15 -47.63 62.03 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -173.49 -171.43 38.03 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.344 -0.932 . . . . 0.0 112.395 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.46 -37.96 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.805 0.442 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . 0.482 ' OD1' HG23 ' B' ' 86' ' ' VAL . 0.4 OUTLIER -52.77 -65.35 0.57 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.858 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.482 HG23 ' OD1' ' B' ' 85' ' ' ASP . 63.4 t -63.64 -34.01 65.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.778 0.323 . . . . 0.0 111.242 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.3 78.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.707 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 56.9 mtm180 -73.12 -21.79 60.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.063 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 21.9 tp -65.13 -60.1 3.39 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -59.49 -36.2 75.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.075 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.626 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -59.37 -49.71 76.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.709 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 43.1 tp -65.51 -40.77 93.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.821 0.344 . . . . 0.0 110.592 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 89' ' ' LEU . 76.9 t -64.11 -41.82 93.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.043 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -72.84 -24.39 60.88 Favored 'General case' 0 C--O 1.219 -0.549 0 C-N-CA 120.198 -0.601 . . . . 0.0 110.626 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.626 HG23 ' O ' ' B' ' 91' ' ' ALA . 42.4 t -65.93 -50.34 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.532 0.206 . . . . 0.0 110.909 176.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 11.5 p -67.23 -21.78 28.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.073 0.463 . . . . 0.0 110.331 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.527 ' HB1' ' HB2' ' A' ' 14' ' ' GLN . . . -88.39 -15.51 35.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.395 175.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 11' ' ' LEU . 26.4 t70 -92.94 -65.38 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 -173.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -1.78 52.02 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -169.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.41 -18.56 61.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.372 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.405 HD23 ' H ' ' B' ' 101' ' ' LEU . 2.3 pt? -134.64 121.36 20.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.034 0.445 . . . . 0.0 110.306 177.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.09 -49.94 1.7 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -151.98 -24.64 0.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.241 -177.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 37.2 p-80 -71.13 127.22 31.85 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.769 -178.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -136.7 153.34 50.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.29 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -121.37 -72.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -152.27 100.85 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.645 173.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.803 -0.618 . . . . 0.0 110.084 178.065 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 120.691 0.281 . . . . 0.0 111.31 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.88 -44.24 2.63 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 121.109 -0.236 . . . . 0.0 111.336 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 61.21 51.46 58.08 Favored Glycine 0 C--N 1.33 0.216 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -87.44 105.1 17.06 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.26 0.552 . . . . 0.0 111.388 -168.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -119.49 7.53 11.17 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 174.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.01 7.88 43.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.884 -174.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -65.17 -51.02 63.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.253 -174.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.29 -34.23 77.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.041 0.448 . . . . 0.0 110.355 179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.51 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.633 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.5 67.82 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.111 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 tp -69.11 -50.35 48.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.883 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.0 mt -65.81 -28.19 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.56 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -64.99 -40.93 95.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.24 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.471 ' HG2' HD11 ' B' ' 101' ' ' LEU . 24.1 tp60 -69.92 -40.51 75.51 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.237 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.11 -41.99 88.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 174.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' B' ' 24' ' ' ASN . . . -60.03 -42.69 94.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.06 177.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.51 ' HG2' ' HA2' ' A' ' 65' ' ' GLY . 23.0 ttm-85 -61.03 -38.41 86.02 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.674 0.273 . . . . 0.0 110.929 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG13 HD11 ' A' ' 67' ' ' LEU . 76.5 t -70.42 -50.02 48.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.72 179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.6 -39.05 97.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.074 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -63.96 -32.29 73.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.869 0.366 . . . . 0.0 110.684 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.92 -29.73 50.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.134 0.492 . . . . 0.0 110.427 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.5 tp -75.54 -35.62 60.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.425 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.52 103.42 1.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.325 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -175.76 -55.21 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.911 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.419 ' HA2' HD12 ' A' ' 28' ' ' LEU . . . 103.66 -53.96 0.7 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.337 -178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 -70.75 -37.65 73.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -67.56 -17.78 64.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.76 177.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD12 ' HA2' ' A' ' 25' ' ' GLY . 89.7 mt -72.39 -33.93 67.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.129 177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -67.68 -30.13 69.58 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.273 0.559 . . . . 0.0 109.793 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.512 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 63.1 mt -67.52 -44.35 86.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.984 175.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD21 HD13 ' A' ' 62' ' ' LEU . 96.0 mt -61.79 -39.22 90.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.48 -40.15 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.975 175.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.51 -43.88 62.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.684 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 58.3 mt -70.34 -23.26 62.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.197 -176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.0 -9.68 58.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.673 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -104.21 4.21 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.33 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 137.04 154.91 6.82 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.664 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.75 ' HB3' ' HB2' ' A' ' 80' ' ' ARG . 8.4 pt-20 -75.26 126.44 31.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.224 0.535 . . . . 0.0 110.556 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -121.26 151.12 40.39 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.018 -178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . . . -72.48 150.75 42.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 176.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.69 -41.81 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.992 0.425 . . . . 0.0 111.025 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.459 ' HG2' HD21 ' A' ' 52' ' ' LEU . 30.4 mt-10 -57.11 -43.04 81.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.072 177.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.34 -40.84 57.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.822 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 40' ' ' ALA . 84.2 mt -57.29 -49.95 78.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.533 178.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.53 -49.91 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.903 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.7 m -60.57 -49.47 77.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.37 -37.31 86.76 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.428 ' OG1' ' HG2' ' A' ' 50' ' ' MET . 27.2 p -84.44 -14.46 49.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.741 0.305 . . . . 0.0 111.559 -178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.67 35.63 16.0 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.428 -0.891 . . . . 0.0 112.736 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.428 ' HG2' ' OG1' ' A' ' 48' ' ' THR . 24.0 ptp -134.1 178.25 7.11 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 27.6 p30 -99.02 162.98 12.77 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.651 0.262 . . . . 0.0 110.61 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.459 HD21 ' HG2' ' A' ' 42' ' ' GLU . 8.7 mp -61.68 -37.98 86.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.535 -175.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.8 m -57.35 -49.43 76.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.577 0.227 . . . . 0.0 111.172 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -69.13 -46.5 67.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.937 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.88 -48.4 78.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.343 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.3 t -65.76 -36.51 83.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.805 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.89 85.73 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.961 0.41 . . . . 0.0 110.355 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.97 -46.19 75.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.237 176.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 79' ' ' TYR . 87.5 mt -61.75 -40.65 95.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.948 178.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -62.14 -41.51 98.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.681 179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.15 90.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 0.0 110.388 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.408 HD13 HD21 ' A' ' 31' ' ' LEU . 80.0 mt -64.62 -38.78 92.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.337 178.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -66.37 -43.16 86.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.976 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.6 m -68.62 -27.07 65.69 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.934 0.397 . . . . 0.0 110.721 178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.51 ' HA2' ' HG2' ' A' ' 17' ' ' ARG . . . -71.65 -30.47 66.3 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.456 171.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 107.16 18.3 10.6 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 121.252 -0.499 . . . . 0.0 112.434 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.601 HD11 HG13 ' A' ' 18' ' ' VAL . 10.9 mp -89.18 -45.18 9.76 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -174.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.0 m -120.33 155.53 23.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.168 0.508 . . . . 0.0 112.26 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -117.9 164.7 14.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.104 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.44 129.33 49.61 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.005 0.431 . . . . 0.0 111.296 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -106.18 111.68 24.4 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 72' ' ' ARG . 43.5 ttm105 -83.85 97.76 9.37 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 109.657 177.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -104.98 103.57 13.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.68 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.39 -114.86 7.06 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.849 -177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 m -108.12 16.29 23.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.428 0.633 . . . . 0.0 110.278 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -120.87 146.14 46.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.213 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -110.97 115.79 30.09 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.011 177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.48 ' HA ' ' HA ' ' A' ' 40' ' ' ALA . 38.1 m-85 -102.42 139.08 38.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.933 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' HD22 ' A' ' 34' ' ' LEU . 26.9 m-85 -118.48 146.26 44.64 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.024 0.44 . . . . 0.0 111.185 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.75 ' HB2' ' HB3' ' A' ' 38' ' ' GLU . 10.3 ttp180 -159.21 160.83 35.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.211 177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.5 mt -52.97 129.4 13.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 O-C-N 123.201 0.313 . . . . 0.0 110.483 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.79 -59.47 4.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 112.136 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -127.18 170.27 18.91 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.438 -0.887 . . . . 0.0 112.784 -176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -64.81 -29.61 70.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.21 0.528 . . . . 0.0 110.144 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.651 ' HB2' HG22 ' B' ' 96' ' ' VAL . 2.0 p-10 -58.3 -49.1 78.35 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.345 178.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' A' ' 67' ' ' LEU . 58.1 t -66.96 -40.61 86.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.95 0.405 . . . . 0.0 110.86 179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.59 -45.75 90.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.678 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 88' ' ' ARG . 45.9 mtp180 -68.49 -35.11 77.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.756 178.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.04 -52.53 64.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.185 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -65.74 -35.52 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.648 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -67.66 -43.33 80.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.706 177.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 96' ' ' VAL . 61.9 tp -58.17 -55.47 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.964 -178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 14.3 p -63.51 -30.97 51.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 110.817 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.0 -46.62 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.308 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 91' ' ' ALA . 91.2 t -62.44 -41.82 93.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.791 0.329 . . . . 0.0 110.304 178.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 92' ' ' LEU . 84.7 t -56.62 -53.38 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.472 176.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.58 -49.06 79.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.782 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' HA ' ' CD1' ' B' ' 11' ' ' LEU . 35.1 t70 -60.19 -53.88 52.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.42 -174.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -80.28 -23.8 40.5 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -85.89 -26.97 25.31 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.414 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.4 tp -92.64 -18.33 23.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.673 0.273 . . . . 0.0 110.731 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -48.22 78.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.393 178.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.05 135.37 34.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 83.3 t60 64.76 46.12 3.16 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.666 0.746 . . . . 0.0 109.173 -173.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 -80.87 107.73 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 111.187 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -77.68 94.87 4.49 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.098 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.522 ' HB2' ' OE1' ' B' ' 4' ' ' GLN . 10.5 p80 -76.7 119.55 20.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.126 178.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 . . . . . 0 C--O 1.248 0.995 0 C-N-CA 124.248 1.019 . . . . 0.0 111.219 -171.397 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.58 178.41 7.09 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.167 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.62 170.64 12.01 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.087 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.522 ' OE1' ' HB2' ' A' ' 107' ' ' HIS . 1.5 mt-30 69.38 -178.43 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 122.959 0.504 . . . . 0.0 111.102 178.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -150.63 -82.29 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.882 0.372 . . . . 0.0 110.824 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -106.55 136.6 46.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' B' ' 7' ' ' ARG . 23.2 mtm180 -88.75 -34.91 16.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -58.9 -39.12 80.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.454 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.33 67.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.526 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.97 80.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.911 0.386 . . . . 0.0 110.668 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 98' ' ' ASP . 2.6 mm? -73.81 -42.82 60.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.822 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 84.5 mt -62.05 -33.9 75.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.524 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' B' ' 17' ' ' ARG . 12.4 t70 -62.67 -47.35 84.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 176.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -65.78 -45.52 82.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.004 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.38 75.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.077 0.465 . . . . 0.0 110.292 176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.541 ' HB1' ' HE3' ' B' ' 20' ' ' LYS . . . -62.61 -39.49 93.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.757 177.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' B' ' 13' ' ' ASP . 55.1 mtt180 -58.43 -45.7 87.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 110.645 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.112 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.61 -37.02 94.12 Favored Glycine 0 C--O 1.223 -0.542 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.086 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.541 ' HE3' ' HB1' ' B' ' 16' ' ' ALA . 93.3 mttt -67.95 -37.73 81.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.173 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.624 ' HB1' HD23 ' B' ' 62' ' ' LEU . . . -78.07 -42.29 32.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.074 0.464 . . . . 0.0 110.646 179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.527 HD23 HD22 ' B' ' 28' ' ' LEU . 0.5 OUTLIER -92.28 26.11 2.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.079 -179.229 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.71 -78.44 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.405 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.624 ' HB2' ' HB1' ' A' ' 16' ' ' ALA . 3.8 p-10 -165.22 167.63 17.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.636 -174.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.57 20.8 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.69 -0.767 . . . . 0.0 114.055 170.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.429 ' O ' HG13 ' B' ' 30' ' ' ILE . 9.2 mtm180 -65.43 -22.53 66.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.118 -0.541 . . . . 0.0 111.346 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -56.2 -39.05 71.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.197 0.522 . . . . 0.0 110.469 176.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.527 HD22 HD23 ' B' ' 22' ' ' LEU . 16.8 mt -78.91 -29.14 44.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.704 -175.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.17 -34.33 77.82 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 176.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.449 HG21 HD21 ' B' ' 59' ' ' LEU . 68.1 mt -64.55 -45.05 96.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.25 174.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.07 -42.4 94.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -65.82 -28.55 69.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.023 0.439 . . . . 0.0 110.522 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.3 tp -79.68 -38.52 33.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.718 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 82.0 mt -71.63 -17.41 62.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.198 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.43 -5.38 42.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.2 0.524 . . . . 0.0 110.563 176.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -96.78 1.93 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.98 -129.06 3.63 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.761 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . 0.511 ' HB2' ' HD2' ' B' ' 80' ' ' ARG . 35.7 tt0 -133.22 117.27 17.22 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -131.1 146.24 52.29 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.249 -0.581 . . . . 0.0 111.837 -173.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.655 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -74.77 154.46 38.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.565 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 77' ' ' GLN . 41.2 t -51.96 -42.76 34.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 O-C-N 123.484 0.49 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -57.01 -47.1 81.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.517 177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.24 -41.45 89.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.703 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.427 HG13 ' O ' ' B' ' 40' ' ' ALA . 80.0 mt -60.75 -49.75 83.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.369 177.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . 0.533 ' HB1' ' O ' ' B' ' 50' ' ' MET . . . -58.41 -47.27 84.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.176 -179.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 31.6 m -61.15 -49.57 76.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.007 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.86 88.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.904 -176.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 18.0 p -80.8 -17.51 50.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.785 0.326 . . . . 0.0 111.65 -178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.16 35.35 49.29 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -174.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.533 ' O ' ' HB1' ' B' ' 45' ' ' ALA . 28.0 ttp -125.39 143.26 51.06 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 -176.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -75.41 155.81 35.99 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 121.473 -0.091 . . . . 0.0 110.972 -176.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 25.6 mt -49.16 -47.26 45.87 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -60.04 -46.86 88.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.072 0.463 . . . . 0.0 111.143 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . 0.454 ' HB ' ' HG3' ' B' ' 50' ' ' MET . 3.7 m -67.55 -43.5 80.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.775 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.18 -52.17 60.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.771 -178.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 33.4 p -61.86 -36.69 81.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.676 0.274 . . . . 0.0 111.135 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.11 87.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.668 177.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.403 ' O ' ' HG ' ' B' ' 62' ' ' LEU . 93.8 m-20 -66.16 -37.21 85.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.772 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.449 HD21 HG21 ' B' ' 30' ' ' ILE . 78.6 mt -64.08 -42.6 96.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.159 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -60.66 -36.49 78.83 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.644 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.29 -46.74 79.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.521 176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.624 HD23 ' HB1' ' B' ' 21' ' ' ALA . 81.8 mt -62.83 -39.33 94.03 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.705 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' B' ' 68' ' ' VAL . 50.2 tttm -65.37 -46.34 80.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.546 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 37.8 m -67.42 -25.76 66.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.086 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.79 -29.14 67.78 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.579 -0.82 . . . . 0.0 111.577 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.99 11.38 30.17 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.015 -0.612 . . . . 0.0 111.743 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.581 ' HA ' HG21 ' B' ' 86' ' ' VAL . 10.8 mp -82.93 -48.25 10.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.634 0.254 . . . . 0.0 111.51 -175.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' B' ' 81' ' ' ILE . 28.2 m -132.59 156.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.895 0.379 . . . . 0.0 111.168 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -122.43 166.0 15.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.251 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.81 136.27 49.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' B' ' 71' ' ' ARG . 35.5 ttt180 -117.56 145.66 44.12 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -128.81 125.51 37.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.013 -0.675 . . . . 0.0 112.311 -176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.433 ' HB2' ' HE2' ' B' ' 78' ' ' TYR . 70.5 mt-10 -122.12 108.95 13.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.165 -0.925 . . . . 0.0 108.742 171.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.1 -97.51 0.94 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.77 -0.728 . . . . 0.0 111.765 -179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 12.6 t -129.59 2.95 5.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.695 0.284 . . . . 0.0 110.967 178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 30.1 mtm180 -94.56 130.9 40.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 111.003 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . 0.422 ' O ' HG23 ' B' ' 41' ' ' VAL . 52.0 tt0 -102.21 109.14 20.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.849 -178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.655 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 72.6 m-85 -92.44 151.91 19.98 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.274 -179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -125.6 148.05 49.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.484 173.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . 0.511 ' HD2' ' HB2' ' B' ' 38' ' ' GLU . 55.3 ttt180 -163.61 156.82 18.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.649 -177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.512 ' HA ' HG12 ' B' ' 68' ' ' VAL . 63.4 mt -58.34 131.69 22.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.881 0.372 . . . . 0.0 110.733 -179.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.56 5.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.102 -173.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -128.86 156.79 21.29 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.395 -0.907 . . . . 0.0 113.255 -174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -58.14 -34.02 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.998 0.519 . . . . 0.0 110.578 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -53.78 -50.64 65.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.484 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . 0.581 HG21 ' HA ' ' B' ' 67' ' ' LEU . 60.1 t -69.55 -41.68 80.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.941 -177.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . 0.491 ' HB2' HG21 ' B' ' 81' ' ' ILE . . . -60.9 -46.29 91.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.968 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -71.63 -29.01 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.044 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 tt -69.37 -47.42 64.31 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -63.43 -35.67 81.2 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.055 0.455 . . . . 0.0 110.16 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.484 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -67.04 -44.45 80.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.564 175.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . 0.468 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.1 tt -60.7 -49.24 78.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.013 -178.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.66 -30.85 51.42 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 110.707 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -66.91 -41.09 87.67 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 91' ' ' ALA . 90.3 t -62.28 -40.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.343 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 85' ' ' ASP . 98.6 t -55.47 -46.53 78.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-O 120.929 0.395 . . . . 0.0 110.733 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.43 -43.26 77.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.042 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -62.92 -34.96 78.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -76.65 -49.89 15.08 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.311 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -79.61 -19.16 49.93 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -172.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.471 HD11 ' HG2' ' A' ' 14' ' ' GLN . 27.3 mt -107.27 81.73 1.58 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 174.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -148.27 -73.69 0.19 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.949 0.404 . . . . 0.0 111.558 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -82.93 65.28 7.98 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -169.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -169.8 120.13 0.65 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.106 -0.952 . . . . 0.0 108.445 167.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -86.03 88.07 7.52 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.512 0.672 . . . . 0.0 111.127 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -140.69 100.7 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.786 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -107.97 -22.21 12.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 174.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 . . . . . 0 C--O 1.245 0.826 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.909 -179.914 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.94 150.53 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.912 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.15 156.61 17.82 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.879 -0.601 . . . . 0.0 112.059 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.455 ' H ' ' CD ' ' A' ' 4' ' ' GLN . 5.4 pm0 -86.77 15.06 6.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.062 0.458 . . . . 0.0 110.813 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.432 ' O ' ' HB3' ' A' ' 6' ' ' ASP . 2.8 p -67.84 146.38 53.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.145 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' A' ' 5' ' ' SER . 26.6 t70 76.31 -32.12 0.2 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.45 0.7 . . . . 0.0 111.524 178.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.562 ' O ' ' HG ' ' A' ' 11' ' ' LEU . 35.8 ttm180 -58.58 -38.13 77.25 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -62.0 -44.58 96.43 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.003 0.43 . . . . 0.0 110.09 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.29 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.151 177.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . . . -72.97 -21.48 60.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.248 178.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 7' ' ' ARG . 92.6 mt -73.77 -47.34 39.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.002 0.429 . . . . 0.0 109.983 177.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.407 HD22 ' HB3' ' B' ' 28' ' ' LEU . 89.3 mt -66.82 -33.22 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.559 0.695 . . . . 0.0 109.589 176.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.448 ' HB3' ' HA ' ' A' ' 10' ' ' ALA . 7.3 t70 -64.72 -38.92 92.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.475 173.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -67.09 -49.07 66.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.998 -176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.513 HG12 HG22 ' B' ' 93' ' ' VAL . 33.7 m -67.24 -27.07 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.831 -178.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.43 -36.79 81.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.355 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -61.67 -42.2 98.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.496 176.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG13 HD11 ' A' ' 67' ' ' LEU . 60.5 t -66.35 -50.42 67.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.404 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.92 -31.06 79.55 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.598 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -65.54 -44.27 87.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.623 0.249 . . . . 0.0 110.842 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -26.58 63.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.244 0.545 . . . . 0.0 110.413 177.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.2 tp -74.36 -31.02 62.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.761 -178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 16' ' ' ALA . . . -78.01 16.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -169.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.404 HD22 ' C ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -89.56 -34.32 16.4 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.033 0.444 . . . . 0.0 110.008 -179.804 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.91 -65.56 2.29 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.378 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -68.34 -22.88 64.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.172 0.486 . . . . 0.0 111.24 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.551 ' HB3' HD21 ' A' ' 62' ' ' LEU . 98.9 mtt180 -71.78 -20.58 61.84 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.122 0.487 . . . . 0.0 110.016 176.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.0 mt -80.48 -25.02 39.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.555 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -65.26 -33.23 75.49 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.224 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 62.0 mt -65.06 -44.36 95.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.086 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.424 HD11 HD23 ' A' ' 67' ' ' LEU . 91.8 mt -63.29 -41.38 98.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.269 177.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.7 -37.56 71.08 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.629 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.523 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 51.8 tp -77.1 -44.87 28.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.26 178.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 30' ' ' ILE . 75.4 mt -73.88 -3.23 27.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.712 0.291 . . . . 0.0 111.677 -175.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.06 -19.23 65.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.331 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 33' ' ' LEU . 10.7 pt20 -84.24 -16.67 42.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.811 0.339 . . . . 0.0 110.923 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 143.92 -175.29 23.89 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HA ' ' HB2' ' A' ' 80' ' ' ARG . 0.7 OUTLIER -82.49 131.24 35.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 117.346 0.573 . . . . 0.0 110.366 -178.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -115.16 147.87 39.74 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 177.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.21 150.7 47.76 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.2 t -52.6 -40.64 34.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.964 0.411 . . . . 0.0 110.935 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.534 ' HA ' HD11 ' A' ' 52' ' ' LEU . 4.0 tm-20 -59.35 -44.03 92.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.455 177.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.87 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.063 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.3 mt -56.94 -49.58 78.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.018 -178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.06 62.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.147 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 49.2 m -61.98 -46.06 90.93 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.5 -178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.27 -26.38 66.53 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -175.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.0 p -95.63 -11.31 27.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.87 0.366 . . . . 0.0 111.449 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 79.44 35.27 29.84 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.158 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.4 mtm -125.32 158.27 34.6 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -76.1 159.47 30.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.874 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' ' 42' ' ' GLU . 4.3 mm? -56.16 -42.06 76.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.779 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 p -67.56 -47.17 70.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.014 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.9 m -61.72 -48.37 81.06 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.967 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.85 -47.53 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.087 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.5 m -59.79 -38.21 81.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.692 0.282 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.73 -36.54 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' N ' HD22 ' A' ' 58' ' ' ASN . 1.0 OUTLIER -79.89 -37.32 35.01 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.59 179.675 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.85 -46.57 87.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.284 176.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.68 -32.41 74.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.375 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.64 -45.35 75.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.393 175.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 27' ' ' ARG . 80.5 mt -65.97 -33.33 75.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.357 176.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.0 tttm -69.99 -34.4 73.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.839 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 52.5 m -69.97 -26.04 63.91 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.116 175.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.49 -16.34 73.84 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.831 175.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.23 21.42 49.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.127 -0.559 . . . . 0.0 112.439 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.535 HD11 HG13 ' A' ' 18' ' ' VAL . 9.5 mp -91.52 -33.52 15.14 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -176.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.3 m -130.62 152.86 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 0.0 111.525 -178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.675 ' HB2' ' HA ' ' A' ' 82' ' ' ALA . 1.8 tm-20 -124.47 177.34 5.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.384 176.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.23 113.54 18.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 111.523 -174.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 55.3 mtp85 -109.22 109.0 19.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.724 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.532 ' H ' ' HD2' ' A' ' 72' ' ' ARG . 0.0 OUTLIER -90.98 139.37 30.82 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.041 0.448 . . . . 0.0 111.045 -176.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 78' ' ' TYR . 8.3 tp10 -135.29 115.65 13.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.399 -0.818 . . . . 0.0 108.96 179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.82 -112.51 4.13 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.786 -0.721 . . . . 0.0 111.515 -175.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 73.2 p -113.3 -4.94 13.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.167 0.508 . . . . 0.0 110.512 178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 -100.87 146.48 27.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.74 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.522 ' HA ' ' HA ' ' A' ' 72' ' ' ARG . 7.9 tt0 -113.15 123.6 50.6 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 0.0 110.059 177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 73' ' ' GLU . 27.7 m-85 -103.66 136.85 42.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.156 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -107.15 140.63 39.69 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.038 0.447 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.41 ' HB2' ' HA ' ' A' ' 38' ' ' GLU . 14.7 ttp85 -152.92 161.46 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 63.2 mt -46.48 130.55 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 O-C-N 123.463 0.477 . . . . 0.0 110.406 176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.675 ' HA ' ' HB2' ' A' ' 69' ' ' GLU . . . -56.21 -36.07 68.01 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.58 0.55 . . . . 0.0 112.392 -171.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -164.34 169.78 39.28 Favored Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.084 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.88 -23.33 67.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.849 0.356 . . . . 0.0 110.308 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.92 -57.45 8.5 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.136 174.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.4 t -70.14 -35.74 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.455 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.6 77.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.981 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -71.09 -30.8 67.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.829 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.0 tp -64.49 -49.82 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.41 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -62.72 -36.82 84.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.706 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 95' ' ' VAL . . . -65.47 -46.1 81.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.603 176.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 96' ' ' VAL . 48.9 tp -63.02 -48.91 76.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.373 -178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -66.72 -28.75 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.186 0.517 . . . . 0.0 110.624 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.55 -43.16 90.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.864 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 91' ' ' ALA . 74.7 t -59.07 -41.81 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.619 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 92' ' ' LEU . 61.8 t -53.63 -48.27 59.96 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.058 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.829 178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.15 -47.75 33.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.381 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.49 -61.78 2.18 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.521 -172.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -75.37 -22.6 57.4 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -171.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -85.58 -33.94 21.57 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.793 -175.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' B' ' 14' ' ' GLN . 3.5 mm? -66.75 -48.09 70.18 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.192 -0.203 . . . . 0.0 111.451 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.74 14.55 5.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.961 0.41 . . . . 0.0 111.52 -177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 -80.81 -3.28 50.53 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 174.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -161.32 148.73 15.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.44 -1.254 . . . . 0.0 108.019 176.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.2 m80 -103.71 -67.64 0.88 Allowed 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.151 -0.619 . . . . 0.0 111.728 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -133.67 152.7 51.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.858 0.361 . . . . 0.0 110.528 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.8 p80 -95.0 153.11 17.79 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 172.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.7 t60 . . . . . 0 C--N 1.315 -0.893 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 176.082 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.479 1.018 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.2 131.08 40.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.596 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 169.61 -115.02 0.58 Allowed Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.595 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 66.89 93.37 0.07 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.18 0.592 . . . . 0.0 111.896 -175.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.4 p -89.18 1.13 56.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.742 0.782 . . . . 0.0 109.743 174.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -91.79 12.45 21.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.806 -1.088 . . . . 0.0 110.351 178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -60.06 -48.42 81.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.671 -173.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -63.13 -27.79 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.25 75.98 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 111.094 -177.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.99 -33.24 71.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.424 ' O ' HG23 ' B' ' 15' ' ' VAL . 4.0 mm? -74.7 -39.48 61.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.384 -179.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 69.5 mt -64.24 -37.02 86.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -66.16 -36.91 84.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.143 0.497 . . . . 0.0 110.168 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.661 HE22 ' HD2' ' B' ' 17' ' ' ARG . 26.0 tp60 -67.21 -39.29 86.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.565 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 11' ' ' LEU . 68.8 t -66.89 -38.57 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.206 0.527 . . . . 0.0 109.947 175.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . . . -63.18 -39.66 95.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.779 176.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.661 ' HD2' HE22 ' B' ' 14' ' ' GLN . 20.4 ttm-85 -60.6 -51.9 67.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.451 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -66.41 -31.44 53.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.58 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.96 87.02 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.581 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -63.49 -45.93 88.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.592 0.234 . . . . 0.0 110.647 177.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.05 -31.43 72.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.992 0.425 . . . . 0.0 110.446 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 21.8 tp -73.31 -26.85 61.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.16 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -80.38 64.85 5.33 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . 0.528 ' O ' ' HG ' ' B' ' 28' ' ' LEU . 41.8 t30 -173.71 110.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.062 171.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . 0.532 ' O ' ' HG3' ' B' ' 29' ' ' GLN . . . -54.66 -35.9 58.19 Favored Glycine 0 C--O 1.227 -0.304 0 CA-C-N 115.545 -0.752 . . . . 0.0 113.647 -176.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' B' ' 26' ' ' ARG . 0.2 OUTLIER -59.51 -37.88 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.938 0.369 . . . . 0.0 111.711 -178.331 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.545 ' HG2' ' OD1' ' B' ' 58' ' ' ASN . 22.3 mtm180 -81.36 -23.65 37.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.149 0.499 . . . . 0.0 110.041 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 24' ' ' ASN . 81.1 mt -75.35 -22.73 57.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.656 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' B' ' 25' ' ' GLY . 27.2 mt-30 -62.39 -28.65 69.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.109 0.48 . . . . 0.0 110.543 176.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' B' ' 34' ' ' LEU . 68.5 mt -71.8 -46.89 59.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.905 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.88 -33.8 76.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.309 178.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -59.05 -43.38 91.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.199 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 60.2 tp -70.22 -41.12 74.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.963 177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' B' ' 30' ' ' ILE . 84.8 mt -66.39 -25.55 66.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.217 -178.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.13 -14.33 62.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.539 . . . . 0.0 110.377 175.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -103.49 8.63 37.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.913 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.58 150.28 6.8 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.011 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.62 146.13 48.53 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.509 ' HG3' ' HB3' ' B' ' 43' ' ' ALA . 0.0 OUTLIER -143.38 158.41 43.66 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.45 -170.159 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.58 ' HA ' ' HA ' ' B' ' 78' ' ' TYR . . . -88.64 161.81 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.435 175.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.01 -48.34 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.463 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -59.25 -46.28 88.92 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.757 0.313 . . . . 0.0 110.973 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . 0.509 ' HB3' ' HG3' ' B' ' 39' ' ' ARG . . . -68.29 -38.53 81.75 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.955 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 40' ' ' ALA . 78.0 mt -61.91 -49.71 83.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.673 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.28 -46.97 88.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.957 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 34.3 m -63.33 -43.02 98.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.644 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.39 -33.09 74.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.511 -177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 27.0 p -89.07 -7.92 54.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.386 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 72.18 35.56 60.61 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.014 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 69.4 mtm -122.01 169.46 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.863 0.363 . . . . 0.0 110.591 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -85.61 154.42 21.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.033 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LEU . . . . . . . . . . . . . 94.0 mt -54.51 -53.89 48.33 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.179 0.436 . . . . 0.0 112.179 -175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 14.7 t -66.13 -26.81 67.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.239 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 35.6 m -74.59 -36.88 63.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.086 0.469 . . . . 0.0 110.008 176.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.84 -45.69 85.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.4 176.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 34.6 p -65.62 -32.92 74.76 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.112 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.48 96.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.069 0.461 . . . . 0.0 110.79 175.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.545 ' OD1' ' HG2' ' B' ' 27' ' ' ARG . 37.5 m-80 -68.16 -38.85 82.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.316 177.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.77 -36.23 83.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.617 176.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -59.75 -42.59 93.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.779 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.99 -40.08 95.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.602 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.53 -33.81 69.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.505 ' HE2' ' HA ' ' B' ' 69' ' ' GLU . 23.6 tptp -68.22 -48.06 66.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.969 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' SER . . . . . . . . . . . . . 17.8 p -69.45 -27.56 65.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.283 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.21 -30.5 64.99 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.919 172.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.68 30.08 7.82 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.743 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -95.97 -30.47 13.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.541 0.21 . . . . 0.0 111.429 -177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' VAL . . . . . 0.435 ' O ' ' HD2' ' B' ' 63' ' ' LYS . 27.5 m -134.99 162.9 37.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -175.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.565 ' HG2' ' HA ' ' B' ' 82' ' ' ALA . 80.6 mm-40 -123.13 173.16 8.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.404 173.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.86 147.79 52.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.923 0.392 . . . . 0.0 111.362 -176.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' B' ' 71' ' ' ARG . 36.3 ttm180 -129.57 130.15 45.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.114 178.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -91.95 112.97 25.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.673 0.273 . . . . 0.0 110.279 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -127.67 110.02 12.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.472 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLY . . . . . . . . . . . . . . . 66.08 -111.68 4.34 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.798 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' THR . . . . . . . . . . . . . 11.0 m -104.06 -16.81 15.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.459 0.647 . . . . 0.0 110.291 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -108.19 152.18 24.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.177 -171.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -111.76 124.91 53.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.576 -179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' TYR . . . . . 0.58 ' HA ' ' HA ' ' B' ' 40' ' ' ALA . 35.9 m-85 -98.22 150.9 21.01 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.429 -178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -125.51 142.69 51.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.914 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -147.33 167.94 23.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.161 176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -61.25 139.67 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 O-C-N 123.201 0.313 . . . . 0.0 110.171 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.565 ' HA ' ' HG2' ' B' ' 69' ' ' GLU . . . -62.68 -27.41 69.22 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -172.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . -170.34 174.13 44.34 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.53 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' B' ' 88' ' ' ARG . 24.7 tp10 -65.65 -36.82 84.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.804 0.335 . . . . 0.0 110.734 -177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ASP . . . . . 0.426 ' CB ' HG22 ' A' ' 96' ' ' VAL . 1.1 m-20 -62.21 -43.51 98.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.234 -178.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' VAL . . . . . . . . . . . . . 58.6 t -67.56 -36.46 76.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.318 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.81 91.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.355 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' B' ' 84' ' ' GLU . 21.9 mmm180 -65.45 -37.88 88.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.243 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.06 -52.24 66.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.98 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.35 -38.8 90.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.467 ' O ' HG23 ' B' ' 95' ' ' VAL . . . -68.09 -46.3 71.38 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.027 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 58.2 tp -64.41 -48.82 73.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . 0.513 HG22 HG12 ' A' ' 15' ' ' VAL . 8.0 p -65.02 -29.36 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 110.628 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -67.41 -40.6 85.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.184 176.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.467 HG23 ' O ' ' B' ' 91' ' ' ALA . 84.6 t -62.89 -44.92 99.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.17 176.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 90.7 t -57.43 -43.66 83.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.473 178.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.83 42.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.97 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -55.81 -47.0 77.91 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.745 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLU . . . . . 0.527 ' O ' ' HD2' ' B' ' 103' ' ' HIS . 50.9 mm-40 -63.11 -61.02 2.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.222 -0.445 . . . . 0.0 112.001 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -76.06 -5.11 44.96 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -168.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 63.9 tp -87.32 -27.2 23.0 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.044 0.45 . . . . 0.0 109.908 173.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -86.23 -45.14 11.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.681 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . 0.527 ' HD2' ' O ' ' B' ' 99' ' ' GLU . 57.7 m-70 -56.12 132.22 49.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.189 0.518 . . . . 0.0 112.117 -171.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 80.15 -35.9 0.14 Allowed 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 114.336 -1.302 . . . . 0.0 110.862 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 54.07 -1.38 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 170.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -148.6 145.72 27.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 118.597 0.635 . . . . 0.0 111.019 178.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -123.59 135.65 54.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.445 174.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 12.6 p80 . . . . . 0 C--O 1.243 0.754 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.311 -179.938 . . . . . . . . 0 0 . 1 stop_ save_